data_1D41

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  1D41
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    1D41
_pdbx_vrpt_summary.PDB_deposition_date         1991-05-07
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2024-02-07
_pdbx_vrpt_summary.report_creation_date        2024-01-27:21:49
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "DNA (5'-D(*(5CM)P*GP*UP*AP*(5CM)P*G)-3')"  
2  non-polymer  "MAGNESIUM ION"  
3  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  1  
C  2  
D  2  
E  3  
F  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  1.3  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore    
2  RSRZ_outliers_percent  
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
1  1  1   10.42  141614     ?     ?  
2  2  1    2.00    1101  1.30  1.30  
3  1  2  100.00  127900     ?     ?  
4  2  2  100.00    1029  1.30  1.30  
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
1  3  2  A  1  1  A  100.00  
2  4  2  A  1  1  A  100.00  
3  3  2  B  1  1  B  100.00  
4  4  2  B  1  1  B  100.00  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
1  1  1  A  A  5.33  5.42  93  139  
2  1  1  B  B  6.64  5.15  93  139  
#
_pdbx_vrpt_summary_geometry.ordinal          1
_pdbx_vrpt_summary_geometry.clashscore       18.52
_pdbx_vrpt_summary_geometry.num_H_reduce     134
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ   186
_pdbx_vrpt_summary_geometry.bonds_RMSZ       5.29
_pdbx_vrpt_summary_geometry.num_angles_RMSZ  278
_pdbx_vrpt_summary_geometry.angles_RMSZ      6.02
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 400.000
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            85.997
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         5.833
_pdbx_vrpt_summary_diffraction.I_over_sigma              4.10(1.37A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        3841
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.380
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.430
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.429
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.256
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.961
_pdbx_vrpt_summary_diffraction.DCC_R                     0.21
_pdbx_vrpt_summary_diffraction.EDS_R                     0.21
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.37
_pdbx_vrpt_summary_diffraction.EDS_res_low               13.34
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[7.031,7.505,4.081,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.552
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The analyses of the Patterson function reveals a significant off-origin peak that is 37.93 % of the origin peak, indicating pseudo-translational symmetry.  The chance of finding a peak of this or larger height by random in a structure without pseudo-translational symmetry is equal to 3.9800e-04. The detected translational NCS is most likely also responsible for the elevated intensity ratio.  See the relevant section of the logfile for more details."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         1
_pdbx_vrpt_summary_diffraction.centric_outliers          5
_pdbx_vrpt_summary_diffraction.data_completeness         54.26
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      0
_pdbx_vrpt_summary_diffraction.percent_free_reflections  0.00
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.30
_pdbx_vrpt_summary_diffraction.PDB_R                     0.21
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_bond_outliers
_pdbx_vrpt_model_instance.count_angle_outliers
_pdbx_vrpt_model_instance.count_clashes
_pdbx_vrpt_model_instance.count_mogul_bond_outliers
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
 1  1  1  A  1  5CM  A   1  .  ?        ?     ?     ?     5    10  
 2  1  1  A  2  DG   A   2  .  ?       13    13     2     ?     ?  
 3  1  1  A  3  DU   A   3  .  ?        4     7     1     ?     ?  
 4  1  1  A  4  DA   A   4  .  ?        8     7     ?     ?     ?  
 5  1  1  A  5  5CM  A   5  .  ?        ?     ?     1     5    14  
 6  1  1  A  6  DG   A   6  .  ?        9    15     1     ?     ?  
 7  1  1  B  1  5CM  B   7  .  ?        ?     ?     3     4     8  
 8  1  1  B  2  DG   B   8  .  ?       10    14     ?     ?     ?  
 9  1  1  B  3  DU   B   9  .  ?        8    11     ?     ?     ?  
10  1  1  B  4  DA   B  10  .  ?        8    11     ?     ?     ?  
11  1  1  B  5  5CM  B  11  .  ?        ?     ?     ?     4    13  
12  1  1  B  6  DG   B  12  .  ?       10    15     ?     ?     ?  
13  1  2  C  .  MG   B  13  .  ?        ?     ?     ?     ?     ?  
14  1  2  D  .  MG   B  14  .  ?        ?     ?     ?     ?     ?  
15  1  3  E  .  HOH  A  16  .  ?        ?     ?     ?     ?     ?  
16  1  3  E  .  HOH  A  17  .  ?        ?     ?     ?     ?     ?  
17  1  3  E  .  HOH  A  18  .  ?        ?     ?     ?     ?     ?  
18  1  3  E  .  HOH  A  19  .  ?        ?     ?     ?     ?     ?  
19  1  3  E  .  HOH  A  20  .  ?        ?     ?     3     ?     ?  
20  1  3  E  .  HOH  A  21  .  ?        ?     ?     ?     ?     ?  
21  1  3  E  .  HOH  A  24  .  ?        ?     ?     ?     ?     ?  
22  1  3  E  .  HOH  A  26  .  ?        ?     ?     ?     ?     ?  
23  1  3  E  .  HOH  A  27  .  ?        ?     ?     ?     ?     ?  
24  1  3  E  .  HOH  A  29  .  ?        ?     ?     ?     ?     ?  
25  1  3  E  .  HOH  A  33  .  ?        ?     ?     ?     ?     ?  
26  1  3  E  .  HOH  A  34  .  ?        ?     ?     ?     ?     ?  
27  1  3  E  .  HOH  A  36  .  ?        ?     ?     ?     ?     ?  
28  1  3  E  .  HOH  A  37  .  ?        ?     ?     ?     ?     ?  
29  1  3  E  .  HOH  A  38  .  ?        ?     ?     ?     ?     ?  
30  1  3  E  .  HOH  A  39  .  ?        ?     ?     ?     ?     ?  
31  1  3  E  .  HOH  A  40  .  ?        ?     ?     ?     ?     ?  
32  1  3  E  .  HOH  A  41  .  ?        ?     ?     ?     ?     ?  
33  1  3  E  .  HOH  A  44  .  ?        ?     ?     ?     ?     ?  
34  1  3  E  .  HOH  A  46  .  ?        ?     ?     ?     ?     ?  
35  1  3  E  .  HOH  A  48  .  ?        ?     ?     ?     ?     ?  
36  1  3  E  .  HOH  A  49  .  ?        ?     ?     ?     ?     ?  
37  1  3  E  .  HOH  A  51  .  ?        ?     ?     ?     ?     ?  
38  1  3  E  .  HOH  A  52  .  ?        ?     ?     ?     ?     ?  
39  1  3  E  .  HOH  A  53  .  ?        ?     ?     ?     ?     ?  
40  1  3  E  .  HOH  A  54  .  ?        ?     ?     ?     ?     ?  
41  1  3  E  .  HOH  A  55  .  ?        ?     ?     ?     ?     ?  
42  1  3  E  .  HOH  A  58  .  ?        ?     ?     ?     ?     ?  
43  1  3  E  .  HOH  A  63  .  ?        ?     ?     ?     ?     ?  
44  1  3  E  .  HOH  A  69  .  ?        ?     ?     ?     ?     ?  
45  1  3  E  .  HOH  A  71  .  ?        ?     ?     ?     ?     ?  
46  1  3  E  .  HOH  A  72  .  ?        ?     ?     ?     ?     ?  
47  1  3  E  .  HOH  A  73  .  ?        ?     ?     ?     ?     ?  
48  1  3  E  .  HOH  A  74  .  ?        ?     ?     ?     ?     ?  
49  1  3  F  .  HOH  B  15  .  ?        ?     ?     ?     ?     ?  
50  1  3  F  .  HOH  B  22  .  ?        ?     ?     ?     ?     ?  
51  1  3  F  .  HOH  B  23  .  ?        ?     ?     ?     ?     ?  
52  1  3  F  .  HOH  B  25  .  ?        ?     ?     ?     ?     ?  
53  1  3  F  .  HOH  B  28  .  ?        ?     ?     ?     ?     ?  
54  1  3  F  .  HOH  B  30  .  ?        ?     ?     3     ?     ?  
55  1  3  F  .  HOH  B  31  .  ?        ?     ?     ?     ?     ?  
56  1  3  F  .  HOH  B  32  .  ?        ?     ?     ?     ?     ?  
57  1  3  F  .  HOH  B  35  .  ?        ?     ?     ?     ?     ?  
58  1  3  F  .  HOH  B  42  .  ?        ?     ?     ?     ?     ?  
59  1  3  F  .  HOH  B  43  .  ?        ?     ?     ?     ?     ?  
60  1  3  F  .  HOH  B  45  .  ?        ?     ?     ?     ?     ?  
61  1  3  F  .  HOH  B  47  .  ?        ?     ?     ?     ?     ?  
62  1  3  F  .  HOH  B  50  .  ?        ?     ?     ?     ?     ?  
63  1  3  F  .  HOH  B  56  .  ?        ?     ?     ?     ?     ?  
64  1  3  F  .  HOH  B  57  .  ?        ?     ?     ?     ?     ?  
65  1  3  F  .  HOH  B  59  .  ?        ?     ?     ?     ?     ?  
66  1  3  F  .  HOH  B  60  .  ?        ?     ?     ?     ?     ?  
67  1  3  F  .  HOH  B  61  .  ?        ?     ?     ?     ?     ?  
68  1  3  F  .  HOH  B  62  .  ?        ?     ?     ?     ?     ?  
69  1  3  F  .  HOH  B  64  .  ?        ?     ?     ?     ?     ?  
70  1  3  F  .  HOH  B  65  .  ?        ?     ?     ?     ?     ?  
71  1  3  F  .  HOH  B  66  .  ?        ?     ?     ?     ?     ?  
72  1  3  F  .  HOH  B  67  .  ?        ?     ?     ?     ?     ?  
73  1  3  F  .  HOH  B  68  .  ?        ?     ?     ?     ?     ?  
74  1  3  F  .  HOH  B  70  .  ?        ?     ?     ?     ?     ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.OWAB
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.average_occupancy
 1   1    13   7.210    17  2.07    24  2.16  mogul       1.000  
 2   2     9  10.140    25  6.19    39  5.88  molprobity  1.000  
 3   3    10  10.960    21  4.31    32  4.29  molprobity  1.000  
 4   4    11   9.210    23  5.14    33  3.67  molprobity  1.000  
 5   5    13   5.900    17  1.75    24  2.97  mogul       1.000  
 6   6    12   7.370    24  5.70    35  6.70  molprobity  1.000  
 7   7    13   5.310    17  1.44    24  2.30  mogul       1.000  
 8   8     9   5.380    25  6.15    39  5.85  molprobity  1.000  
 9   9    10   7.430    21  4.64    32  5.11  molprobity  1.000  
10  10    11   7.990    23  4.46    33  5.17  molprobity  1.000  
11  11    13   8.400    17  2.03    24  3.16  mogul       1.000  
12  12    10   9.930    24  5.05    35  9.38  molprobity  1.000  
13  13     ?  14.930     ?     ?     ?     ?  ?           1.000  
14  14     ?  24.790     ?     ?     ?     ?  ?           1.000  
15  15     ?  25.970     ?     ?     ?     ?  ?           1.000  
16  16     ?  27.730     ?     ?     ?     ?  ?           1.000  
17  17     ?  15.990     ?     ?     ?     ?  ?           1.000  
18  18     ?  14.110     ?     ?     ?     ?  ?           1.000  
19  19     ?  13.610     ?     ?     ?     ?  ?           1.000  
20  20     ?  38.170     ?     ?     ?     ?  ?           1.000  
21  21     ?  27.340     ?     ?     ?     ?  ?           1.000  
22  22     ?  12.290     ?     ?     ?     ?  ?           1.000  
23  23     ?  17.800     ?     ?     ?     ?  ?           1.000  
24  24     ?   8.380     ?     ?     ?     ?  ?           1.000  
25  25     ?  16.240     ?     ?     ?     ?  ?           1.000  
26  26     ?  36.020     ?     ?     ?     ?  ?           1.000  
27  27     ?  17.200     ?     ?     ?     ?  ?           1.000  
28  28     ?  21.060     ?     ?     ?     ?  ?           1.000  
29  29     ?  25.250     ?     ?     ?     ?  ?           1.000  
30  30     ?  19.540     ?     ?     ?     ?  ?           1.000  
31  31     ?  22.200     ?     ?     ?     ?  ?           1.000  
32  32     ?  25.220     ?     ?     ?     ?  ?           1.000  
33  33     ?  16.730     ?     ?     ?     ?  ?           1.000  
34  34     ?  19.230     ?     ?     ?     ?  ?           1.000  
35  35     ?  20.450     ?     ?     ?     ?  ?           1.000  
36  36     ?  23.550     ?     ?     ?     ?  ?           1.000  
37  37     ?  20.010     ?     ?     ?     ?  ?           1.000  
38  38     ?  20.960     ?     ?     ?     ?  ?           1.000  
39  39     ?  22.100     ?     ?     ?     ?  ?           1.000  
40  40     ?  27.990     ?     ?     ?     ?  ?           1.000  
41  41     ?  14.010     ?     ?     ?     ?  ?           1.000  
42  42     ?  28.940     ?     ?     ?     ?  ?           1.000  
43  43     ?  22.280     ?     ?     ?     ?  ?           1.000  
44  44     ?  27.960     ?     ?     ?     ?  ?           1.000  
45  45     ?  26.830     ?     ?     ?     ?  ?           1.000  
46  46     ?  24.440     ?     ?     ?     ?  ?           1.000  
47  47     ?  25.970     ?     ?     ?     ?  ?           1.000  
48  48     ?  25.490     ?     ?     ?     ?  ?           1.000  
49  49     ?  22.590     ?     ?     ?     ?  ?           1.000  
50  50     ?  23.480     ?     ?     ?     ?  ?           1.000  
51  51     ?  29.150     ?     ?     ?     ?  ?           1.000  
52  52     ?  36.420     ?     ?     ?     ?  ?           1.000  
53  53     ?  17.520     ?     ?     ?     ?  ?           1.000  
54  54     ?  26.360     ?     ?     ?     ?  ?           1.000  
55  55     ?  10.770     ?     ?     ?     ?  ?           1.000  
56  56     ?  23.200     ?     ?     ?     ?  ?           1.000  
57  57     ?  25.160     ?     ?     ?     ?  ?           1.000  
58  58     ?  24.120     ?     ?     ?     ?  ?           1.000  
59  59     ?   5.390     ?     ?     ?     ?  ?           1.000  
60  60     ?  39.380     ?     ?     ?     ?  ?           1.000  
61  61     ?  27.250     ?     ?     ?     ?  ?           1.000  
62  62     ?  19.550     ?     ?     ?     ?  ?           1.000  
63  63     ?  31.140     ?     ?     ?     ?  ?           1.000  
64  64     ?  20.020     ?     ?     ?     ?  ?           1.000  
65  65     ?  29.080     ?     ?     ?     ?  ?           1.000  
66  66     ?  26.190     ?     ?     ?     ?  ?           1.000  
67  67     ?  17.920     ?     ?     ?     ?  ?           1.000  
68  68     ?  23.670     ?     ?     ?     ?  ?           1.000  
69  69     ?  15.580     ?     ?     ?     ?  ?           1.000  
70  70     ?  11.990     ?     ?     ?     ?  ?           1.000  
71  71     ?  13.030     ?     ?     ?     ?  ?           1.000  
72  72     ?  13.310     ?     ?     ?     ?  ?           1.000  
73  73     ?  15.910     ?     ?     ?     ?  ?           1.000  
74  74     ?  25.140     ?     ?     ?     ?  ?           1.000  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
 1   2  "O3'"   1  0.87  1.92  
 2   2  "C2'"   2  0.47  2.63  
 3   3  P       3  0.87  2.32  
 4   5  "H4'"   4  0.41  2.02  
 5   6  "H5''"  4  0.41  2.02  
 6   7  "C5'"   5  0.92  2.16  
 7   7  "H5''"  6  0.66  1.86  
 8   7  "O5'"   7  0.41  2.22  
 9  19  O       1  0.87  1.92  
10  19  O       3  0.87  2.32  
11  19  O       2  0.47  2.63  
12  54  O       5  0.92  2.16  
13  54  O       6  0.66  1.86  
14  54  O       7  0.41  2.22  
#
loop_
_pdbx_vrpt_instance_intra_bond_outliers.ordinal
_pdbx_vrpt_instance_intra_bond_outliers.instance_id
_pdbx_vrpt_instance_intra_bond_outliers.atom_1
_pdbx_vrpt_instance_intra_bond_outliers.atom_2
_pdbx_vrpt_instance_intra_bond_outliers.obs
_pdbx_vrpt_instance_intra_bond_outliers.mean
_pdbx_vrpt_instance_intra_bond_outliers.stdev
_pdbx_vrpt_instance_intra_bond_outliers.Z
_pdbx_vrpt_instance_intra_bond_outliers.link
 1   2  "O3'"  P      1.696  1.607  0.012    7.41  Y     
 2   2  "C1'"  N9     1.326  1.468  0.014  -10.18  ?     
 3   2  "C2'"  "C1'"  1.646  1.519  0.010   12.73  ?     
 4   2  C2     N2     1.251  1.341  0.010   -9.04  ?     
 5   2  C2     N3     1.275  1.323  0.008   -6.05  ?     
 6   2  "C3'"  "C2'"  1.454  1.518  0.012   -5.30  ?     
 7   2  "C4'"  "C3'"  1.636  1.529  0.010   10.71  ?     
 8   2  C6     N1     1.352  1.391  0.007   -5.55  ?     
 9   2  C8     N7     1.356  1.305  0.006    8.49  ?     
10   2  N1     C2     1.307  1.373  0.008   -8.27  ?     
11   2  N9     C4     1.422  1.375  0.008    5.90  ?     
12   2  "O4'"  "C1'"  1.502  1.418  0.012    6.97  ?     
13   2  P      OP1    1.391  1.485  0.017   -5.50  ?     
14   3  "O3'"  P      1.672  1.607  0.012    5.38  Y     
15   3  "C2'"  "C1'"  1.663  1.519  0.010   14.36  ?     
16   3  C4     O4     1.276  1.232  0.008    5.45  ?     
17   3  "O4'"  "C1'"  1.354  1.418  0.012   -5.31  ?     
18   4  "C4'"  "O4'"  1.390  1.446  0.010   -5.56  ?     
19   4  C5     C4     1.318  1.383  0.007   -9.22  ?     
20   4  C5     C6     1.457  1.406  0.009    5.70  ?     
21   4  C6     N1     1.310  1.351  0.007   -5.80  ?     
22   4  C6     N6     1.412  1.335  0.008    9.62  ?     
23   4  C8     N7     1.354  1.311  0.007    6.17  ?     
24   4  N9     C8     1.302  1.373  0.008   -8.89  ?     
25   4  "O4'"  "C1'"  1.556  1.418  0.012   11.48  ?     
26   6  C2     N3     1.376  1.323  0.008    6.61  ?     
27   6  "C3'"  "C2'"  1.439  1.518  0.012   -6.62  ?     
28   6  "C4'"  "C3'"  1.413  1.521  0.010  -10.76  ?     
29   6  C5     C4     1.316  1.379  0.007   -8.99  ?     
30   6  "C5'"  "C4'"  1.594  1.509  0.011    7.75  ?     
31   6  N1     C2     1.301  1.373  0.008   -9.00  ?     
32   6  N7     C5     1.444  1.388  0.006    9.29  ?     
33   6  N9     C8     1.306  1.374  0.007   -9.75  ?     
34   6  P      "O5'"  1.676  1.593  0.010    8.32  ?     
35   8  "C2'"  "C1'"  1.409  1.518  0.010  -10.87  ?     
36   8  C2     N2     1.265  1.341  0.010   -7.64  ?     
37   8  "C3'"  "C2'"  1.447  1.518  0.012   -5.90  ?     
38   8  "C4'"  "C3'"  1.663  1.529  0.010   13.40  ?     
39   8  "C4'"  "O4'"  1.392  1.446  0.010   -5.43  ?     
40   8  C6     N1     1.351  1.391  0.007   -5.66  ?     
41   8  C8     N7     1.385  1.305  0.006   13.40  ?     
42   8  N9     C4     1.456  1.375  0.008   10.17  ?     
43   8  N9     C8     1.329  1.374  0.007   -6.42  ?     
44   8  "O4'"  "C1'"  1.503  1.418  0.012    7.07  ?     
45   9  "C1'"  N1     1.607  1.488  0.013    9.14  ?     
46   9  "C2'"  "C1'"  1.605  1.519  0.010    8.55  ?     
47   9  "C3'"  "O3'"  1.358  1.435  0.013   -5.89  ?     
48   9  N1     C2     1.318  1.381  0.009   -6.96  ?     
49   9  N1     C6     1.428  1.375  0.009    5.87  ?     
50   9  N3     C4     1.328  1.380  0.009   -5.77  ?     
51   9  "O4'"  "C1'"  1.357  1.418  0.012   -5.09  ?     
52   9  P      OP2    1.389  1.485  0.017   -5.64  ?     
53  10  "C1'"  N9     1.379  1.468  0.014   -6.33  ?     
54  10  "C2'"  "C1'"  1.579  1.519  0.010    5.99  ?     
55  10  C2     N3     1.389  1.331  0.009    6.40  ?     
56  10  "C5'"  "C4'"  1.429  1.509  0.011   -7.26  ?     
57  10  C6     N6     1.384  1.335  0.008    6.18  ?     
58  10  N9     C4     1.410  1.374  0.006    5.98  ?     
59  10  P      "O5'"  1.681  1.593  0.010    8.79  ?     
60  10  P      OP2    1.372  1.485  0.017   -6.63  ?     
61  12  "C1'"  N9     1.395  1.468  0.014   -5.18  ?     
62  12  C2     N2     1.289  1.341  0.010   -5.19  ?     
63  12  "C3'"  "O3'"  1.320  1.435  0.013   -8.82  ?     
64  12  "C4'"  "O4'"  1.344  1.446  0.010  -10.18  ?     
65  12  C6     O6     1.286  1.237  0.009    5.46  ?     
66  12  C8     N7     1.355  1.305  0.006    8.40  ?     
67  12  N1     C2     1.309  1.373  0.008   -7.96  ?     
68  12  N9     C4     1.422  1.375  0.008    5.85  ?     
69  12  N9     C8     1.327  1.374  0.007   -6.74  ?     
70  12  P      "O5'"  1.675  1.593  0.010    8.22  ?     
#
loop_
_pdbx_vrpt_instance_intra_angle_outliers.ordinal
_pdbx_vrpt_instance_intra_angle_outliers.instance_id
_pdbx_vrpt_instance_intra_angle_outliers.atom_1
_pdbx_vrpt_instance_intra_angle_outliers.atom_2
_pdbx_vrpt_instance_intra_angle_outliers.atom_3
_pdbx_vrpt_instance_intra_angle_outliers.obs
_pdbx_vrpt_instance_intra_angle_outliers.mean
_pdbx_vrpt_instance_intra_angle_outliers.stdev
_pdbx_vrpt_instance_intra_angle_outliers.Z
_pdbx_vrpt_instance_intra_angle_outliers.link
 1   2  "O3'"  P      "O5'"  114.327  104.000  1.900    5.43  Y     
 2   2  OP1    P      "O3'"   91.464  105.200  2.200   -6.24  Y     
 3   2  "C4'"  "C3'"  "C2'"  109.242  103.100  0.900    6.82  ?     
 4   2  C4     C5     N7     114.703  110.800  0.400    9.76  ?     
 5   2  "C5'"  "C4'"  "C3'"  103.933  114.100  1.800   -5.65  ?     
 6   2  C5     C6     O6     123.968  128.600  0.600   -7.72  ?     
 7   2  C5     N7     C8     100.528  104.300  0.500   -7.54  ?     
 8   2  C6     N1     C2     121.860  125.100  0.600   -5.40  ?     
 9   2  N1     C2     N3     130.671  123.900  0.600   11.28  ?     
10   2  N3     C2     N2     111.785  119.900  0.700  -11.59  ?     
11   2  "O5'"  P      OP1     90.478  110.700  1.200  -16.85  ?     
12   2  "O5'"  P      OP2    119.276  110.700  1.200    7.15  ?     
13   2  OP1    P      OP2    136.883  119.600  1.500   11.52  ?     
14   3  "C3'"  "C2'"  "C1'"   91.794  102.500  1.200   -8.92  ?     
15   3  "C4'"  "C3'"  "C2'"  110.347  103.100  0.900    8.05  ?     
16   3  N1     C2     N3     118.293  114.900  0.600    5.66  ?     
17   3  "O4'"  "C1'"  N1     102.548  108.000  0.700   -7.79  ?     
18   3  "O4'"  "C4'"  "C3'"  101.722  104.500  0.400   -6.95  ?     
19   3  "O5'"  "C5'"  "C4'"   91.878  111.000  2.500   -7.65  ?     
20   3  "O5'"  P      OP1    116.975  110.700  1.200    5.23  ?     
21   4  C2     N3     C4     113.447  110.600  0.500    5.70  ?     
22   4  "C3'"  "C2'"  "C1'"  109.904  102.500  1.200    6.17  ?     
23   4  "C4'"  "C3'"  "O3'"   94.226  109.700  2.500   -6.19  ?     
24   4  C4     C5     N7     113.370  110.700  0.500    5.34  ?     
25   4  C5     N7     C8     100.484  103.900  0.500   -6.83  ?     
26   4  "O4'"  "C1'"  "C2'"  100.773  105.900  0.800   -6.41  ?     
27   4  "O5'"  P      OP2    116.986  110.700  1.200    5.24  ?     
28   6  C2     N3     C4     106.833  111.900  0.500  -10.13  ?     
29   6  "C3'"  "C2'"  "C1'"  110.983  102.500  1.200    7.07  ?     
30   6  "C4'"  "C3'"  "C2'"   97.697  103.100  0.900   -6.00  ?     
31   6  "C5'"  "C4'"  "C3'"  105.068  114.100  1.800   -5.02  ?     
32   6  C5     C6     N1     116.461  111.500  0.500    9.92  ?     
33   6  C6     N1     C2     116.029  125.100  0.600  -15.12  ?     
34   6  C8     N9     C4     109.816  106.400  0.400    8.54  ?     
35   6  N1     C2     N3     130.873  123.900  0.600   11.62  ?     
36   6  N1     C6     O6     114.982  119.900  0.600   -8.20  ?     
37   6  N3     C2     N2     111.083  119.900  0.700  -12.60  ?     
38   6  "O4'"  "C4'"  "C3'"  115.351  106.000  0.600   15.59  ?     
39   6  "O5'"  "C5'"  "C4'"   96.168  111.000  2.500   -5.93  ?     
40   6  "O5'"  P      OP1     98.137  105.700  0.900   -8.40  ?     
41   6  "O5'"  P      OP2    119.255  110.700  1.200    7.13  ?     
42   6  P      "O5'"  "C5'"  108.028  120.900  1.600   -8.04  ?     
43   8  P      "O3'"  "C3'"  129.672  119.700  1.200    8.31  Y     
44   8  "C1'"  "O4'"  "C4'"  104.662  110.100  1.000   -5.44  ?     
45   8  C4     C5     N7     115.006  110.800  0.400   10.52  ?     
46   8  "C5'"  "C4'"  "C3'"  101.155  114.100  1.800   -7.19  ?     
47   8  C5     C6     N1     117.708  111.500  0.500   12.42  ?     
48   8  C5     C6     O6     123.415  128.600  0.600   -8.64  ?     
49   8  C6     C5     N7     126.864  130.400  0.600   -5.89  ?     
50   8  C6     N1     C2     117.934  125.100  0.600  -11.94  ?     
51   8  C8     N9     C4     108.667  106.400  0.400    5.67  ?     
52   8  N1     C2     N3     128.529  123.900  0.600    7.72  ?     
53   8  N3     C2     N2     111.783  119.900  0.700  -11.60  ?     
54   8  N3     C4     N9     130.939  126.000  0.600    8.23  ?     
55   8  N9     C4     C5     101.696  105.400  0.400   -9.26  ?     
56   8  "O4'"  "C1'"  "C2'"  114.395  105.900  0.800   10.62  ?     
57   9  P      "O3'"  "C3'"  128.108  119.700  1.200    7.01  Y     
58   9  C2     N1     "C1'"  110.959  117.700  1.200   -5.62  ?     
59   9  "C3'"  "C2'"  "C1'"   93.726  102.500  1.200   -7.31  ?     
60   9  "C5'"  "C4'"  "C3'"  124.460  114.100  1.800    5.76  ?     
61   9  C5     C6     N1     116.256  122.700  0.500  -12.89  ?     
62   9  C6     N1     C2     125.837  121.000  0.600    8.06  ?     
63   9  N3     C4     O4     114.222  119.400  0.700   -7.40  ?     
64   9  "O4'"  "C1'"  N1     102.256  108.000  0.700   -8.21  ?     
65   9  "O4'"  "C4'"  "C3'"  101.118  106.000  0.600   -8.14  ?     
66   9  "O5'"  P      OP1    117.972  110.700  1.200    6.06  ?     
67   9  OP1    P      OP2    105.240  119.600  1.500   -9.57  ?     
68  10  "C1'"  "O4'"  "C4'"  119.445  110.100  1.000    9.35  ?     
69  10  "C4'"  "C3'"  "C2'"  111.424  103.100  0.900    9.25  ?     
70  10  C5     C6     N6     118.600  123.700  0.800   -6.38  ?     
71  10  C8     N9     C4     108.166  105.800  0.400    5.91  ?     
72  10  N1     C2     N3     125.615  129.300  0.500   -7.37  ?     
73  10  N1     C6     N6     123.379  118.600  0.600    7.96  ?     
74  10  N9     C4     C5     102.657  105.800  0.400   -7.86  ?     
75  10  "O4'"  "C1'"  "C2'"  101.051  105.900  0.800   -6.06  ?     
76  10  "O4'"  "C1'"  N9     114.736  108.000  0.700    9.62  ?     
77  10  "O4'"  "C4'"  "C3'"  100.513  106.000  0.600   -9.14  ?     
78  10  "O5'"  P      OP2     98.499  105.700  0.900   -8.00  ?     
79  12  "C4'"  "C3'"  "C2'"  112.639  103.100  0.900   10.60  ?     
80  12  "C5'"  "C4'"  "C3'"  123.402  114.100  1.800    5.17  ?     
81  12  "C5'"  "C4'"  "O4'"   99.379  109.300  1.900   -5.22  ?     
82  12  C5     C6     N1     117.228  111.500  0.500   11.46  ?     
83  12  C5     C6     O6     121.290  128.600  0.600  -12.18  ?     
84  12  C6     N1     C2     112.629  125.100  0.600  -20.79  ?     
85  12  C8     N9     C4     109.252  106.400  0.400    7.13  ?     
86  12  N1     C2     N3     136.920  123.900  0.600   21.70  ?     
87  12  N3     C2     N2     103.370  119.900  0.700  -23.61  ?     
88  12  N3     C4     C5     124.378  128.600  0.500   -8.45  ?     
89  12  N3     C4     N9     132.164  126.000  0.600   10.27  ?     
90  12  N7     C8     N9     110.361  113.100  0.500   -5.48  ?     
91  12  "O4'"  "C4'"  "C3'"   94.667  106.000  0.600  -18.89  ?     
92  12  "O5'"  P      OP1    122.078  110.700  1.200    9.48  ?     
93  12  "O5'"  P      OP2     89.114  110.700  1.200  -17.99  ?     
#
loop_
_pdbx_vrpt_instance_mogul_bond_outliers.ordinal
_pdbx_vrpt_instance_mogul_bond_outliers.instance_id
_pdbx_vrpt_instance_mogul_bond_outliers.atom_1
_pdbx_vrpt_instance_mogul_bond_outliers.atom_2
_pdbx_vrpt_instance_mogul_bond_outliers.obsval
_pdbx_vrpt_instance_mogul_bond_outliers.mean
_pdbx_vrpt_instance_mogul_bond_outliers.numobs
_pdbx_vrpt_instance_mogul_bond_outliers.stdev
_pdbx_vrpt_instance_mogul_bond_outliers.Zscore
_pdbx_vrpt_instance_mogul_bond_outliers.mindiff
 1   1  C4     N3     1.41  1.34   275  0.02   4.32  0.02  
 2   1  C4     N4     1.39  1.34   961  0.03   2.11  0.00  
 3   1  "O4'"  "C1'"  1.35  1.42  1029  0.02  -3.09  0.00  
 4   1  "C2'"  "C3'"  1.60  1.52   898  0.03   2.91  0.00  
 5   1  "O4'"  "C4'"  1.55  1.45  4334  0.02   4.66  0.00  
 6   5  "C1'"  N1     1.53  1.48   903  0.03   2.05  0.00  
 7   5  O2     C2     1.18  1.23   821  0.02  -2.89  0.00  
 8   5  C4     N3     1.39  1.34   275  0.02   2.86  0.00  
 9   5  "C2'"  "C3'"  1.47  1.52   898  0.03  -2.21  0.00  
10   5  "O5'"  "C5'"  1.53  1.44    26  0.02   3.37  0.00  
11   7  "C1'"  N1     1.54  1.48   903  0.03   2.31  0.00  
12   7  "C2'"  "C1'"  1.46  1.52   864  0.03  -2.02  0.00  
13   7  "C2'"  "C3'"  1.62  1.52   898  0.03   3.47  0.00  
14   7  "O3'"  "C3'"  1.38  1.43  7752  0.02  -2.15  0.00  
15  11  C4     N3     1.39  1.34   275  0.02   2.92  0.00  
16  11  "C2'"  "C1'"  1.61  1.52   864  0.03   3.14  0.00  
17  11  "O4'"  "C1'"  1.34  1.42  1029  0.02  -3.67  0.00  
18  11  "O5'"  "C5'"  1.33  1.44    26  0.02  -4.77  0.05  
#
loop_
_pdbx_vrpt_instance_mogul_angle_outliers.ordinal
_pdbx_vrpt_instance_mogul_angle_outliers.instance_id
_pdbx_vrpt_instance_mogul_angle_outliers.atom_1
_pdbx_vrpt_instance_mogul_angle_outliers.atom_2
_pdbx_vrpt_instance_mogul_angle_outliers.atom_3
_pdbx_vrpt_instance_mogul_angle_outliers.obsval
_pdbx_vrpt_instance_mogul_angle_outliers.mean
_pdbx_vrpt_instance_mogul_angle_outliers.numobs
_pdbx_vrpt_instance_mogul_angle_outliers.stdev
_pdbx_vrpt_instance_mogul_angle_outliers.Zscore
_pdbx_vrpt_instance_mogul_angle_outliers.mindiff
 1   1  O2     C2     N1     126.64  118.89  396  2.06   3.75  1.22  
 2   1  O2     C2     N3     118.14  122.33  702  1.63  -2.58  0.09  
 3   1  C5A    C5     C6     128.42  122.85  855  1.34   4.18  1.33  
 4   1  C5     C6     N1     126.16  123.34  431  1.03   2.74  0.05  
 5   1  "C2'"  "C1'"  N1     106.51  113.77  663  2.30  -3.15  0.09  
 6   1  "O4'"  "C1'"  N1     112.10  107.86  804  1.79   2.37  0.04  
 7   1  "C3'"  "C2'"  "C1'"   93.96  102.54  487  2.51  -3.42  1.72  
 8   1  "C2'"  "C3'"  "C4'"  109.56  102.76  546  2.08   3.26  0.09  
 9   1  "O4'"  "C4'"  "C3'"   99.52  105.67  546  2.33  -2.64  0.06  
10   1  "C5'"  "C4'"  "C3'"  120.35  114.81  424  2.53   2.19  0.14  
11   5  C6     N1     C2     126.03  120.87  125  1.38   3.73  1.55  
12   5  N1     C2     N3     114.12  118.81  391  1.82  -2.57  0.02  
13   5  O2     C2     N1     124.72  118.89  396  2.06   2.82  0.25  
14   5  C4     N3     C2     123.47  120.69  122  1.35   2.06  0.76  
15   5  C5     C4     N3     116.52  121.67   27  1.08  -4.77  3.21  
16   5  C5     C4     N4     126.81  121.48   27  1.50   3.57  2.29  
17   5  C5A    C5     C6     120.07  122.85  855  1.34  -2.08  0.01  
18   5  C5     C6     N1     118.15  123.34  431  1.03  -5.04  0.01  
19   5  "O4'"  "C1'"  N1     114.58  107.86  804  1.79   3.76  0.26  
20   5  "C3'"  "C2'"  "C1'"   94.83  102.54  487  2.51  -3.08  0.85  
21   5  "C2'"  "C3'"  "C4'"  116.21  102.76  546  2.08   6.45  1.92  
22   5  "O3'"  "C3'"  "C2'"  103.43  110.90  898  3.58  -2.09  0.12  
23   5  "O4'"  "C4'"  "C3'"   95.35  105.67  546  2.33  -4.43  2.05  
24   5  "O5'"  "C5'"  "C4'"   97.06  108.99  486  3.40  -3.51  0.35  
25   7  "C1'"  N1     C2     109.35  117.74  200  1.75  -4.78  2.37  
26   7  "C1'"  N1     C6     127.38  120.77  492  1.72   3.83  0.60  
27   7  N1     C2     N3     113.72  118.81  391  1.82  -2.79  0.15  
28   7  O2     C2     N1     126.60  118.89  396  2.06   3.73  1.18  
29   7  "O4'"  "C1'"  "C2'"   98.84  106.25  823  1.89  -3.92  0.04  
30   7  "O4'"  "C4'"  "C3'"   97.36  105.67  546  2.33  -3.56  0.04  
31   7  "C5'"  "C4'"  "C3'"  121.37  114.81  424  2.53   2.59  0.64  
32   7  "C4'"  "O4'"  "C1'"  118.30  109.45  797  2.42   3.66  0.20  
33  11  C6     N1     C2     124.69  120.87  125  1.38   2.75  0.20  
34  11  "C1'"  N1     C2     109.84  117.74  200  1.75  -4.50  1.87  
35  11  "C1'"  N1     C6     125.17  120.77  492  1.72   2.55  0.08  
36  11  N1     C2     N3     111.51  118.81  391  1.82  -4.01  0.03  
37  11  O2     C2     N1     126.57  118.89  396  2.06   3.72  1.14  
38  11  O2     C2     N3     119.08  122.33  702  1.63  -2.00  0.02  
39  11  C4     N3     C2     127.64  120.69  122  1.35   5.15  1.03  
40  11  C5     C4     N3     113.98  121.67   27  1.08  -7.13  5.75  
41  11  C5     C4     N4     128.54  121.48   27  1.50   4.73  4.03  
42  11  C5A    C5     C6     115.85  122.85  855  1.34  -5.24  0.09  
43  11  C5     C6     N1     119.34  123.34  431  1.03  -3.88  0.02  
44  11  "O4'"  "C1'"  "C2'"   99.70  106.25  823  1.89  -3.47  0.16  
45  11  "O5'"  "C5'"  "C4'"  119.55  108.99  486  3.40   3.10  0.02  
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
 1   1  17  0.959  0.069       ?  
 2   2  22  0.941  0.084   0.157  
 3   3  19  0.901  0.110       ?  
 4   4  21  0.961  0.066  -0.255  
 5   5  20  0.969  0.065       ?  
 6   6  22  0.969  0.064  -0.542  
 7   7  17  0.969  0.063       ?  
 8   8  22  0.979  0.058  -0.752  
 9   9  19  0.980  0.060       ?  
10  10  21  0.964  0.071  -0.118  
11  11  20  0.968  0.065       ?  
12  12  22  0.944  0.088   0.297  
13  13   1  0.986  0.146       ?  
14  14   1  0.945  0.054       ?  
15  15   1  0.869  0.149       ?  
16  16   1  0.710  0.204       ?  
17  17   1  0.980  0.100       ?  
18  18   1  0.949  0.125       ?  
19  19   1  0.951  0.112       ?  
20  20   1  0.567  0.235       ?  
21  21   1  0.877  0.103       ?  
22  22   1  0.965  0.048       ?  
23  23   1  0.909  0.110       ?  
24  24   1  0.982  0.046       ?  
25  25   1  0.933  0.112       ?  
26  26   1  0.788  0.203       ?  
27  27   1  0.963  0.075       ?  
28  28   1  0.765  0.150       ?  
29  29   1  0.889  0.120       ?  
30  30   1  0.868  0.154       ?  
31  31   1  0.944  0.080       ?  
32  32   1  0.835  0.114       ?  
33  33   1  0.956  0.070       ?  
34  34   1  0.915  0.096       ?  
35  35   1  0.907  0.127       ?  
36  36   1  0.911  0.065       ?  
37  37   1  0.913  0.086       ?  
38  38   1  0.857  0.133       ?  
39  39   1  0.813  0.287       ?  
40  40   1  0.872  0.097       ?  
41  41   1  0.876  0.129       ?  
42  42   1  0.757  0.134       ?  
43  43   1  0.863  0.209       ?  
44  44   1  0.641  0.183       ?  
45  45   1  0.904  0.133       ?  
46  46   1  0.916  0.117       ?  
47  47   1  0.876  0.114       ?  
48  48   1  0.690  0.134       ?  
49  49   1  0.792  0.135       ?  
50  50   1  0.756  0.156       ?  
51  51   1  0.864  0.130       ?  
52  52   1  0.807  0.274       ?  
53  53   1  0.912  0.142       ?  
54  54   1  0.840  0.256       ?  
55  55   1  0.950  0.060       ?  
56  56   1  0.826  0.119       ?  
57  57   1  0.841  0.087       ?  
58  58   1  0.759  0.204       ?  
59  59   1  0.989  0.046       ?  
60  60   1  0.761  0.269       ?  
61  61   1  0.869  0.132       ?  
62  62   1  0.911  0.126       ?  
63  63   1  0.796  0.175       ?  
64  64   1  0.937  0.067       ?  
65  65   1  0.812  0.156       ?  
66  66   1  0.934  0.090       ?  
67  67   1  0.921  0.123       ?  
68  68   1  0.890  0.143       ?  
69  69   1  0.960  0.170       ?  
70  70   1  0.971  0.101       ?  
71  71   1  0.971  0.088       ?  
72  72   1  0.964  0.075       ?  
73  73   1  0.971  0.162       ?  
74  74   1  0.906  0.107       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  mogul        "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  eds          2.36                                                                  Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
