data_7SDX

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  7SDX
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    7SDX
_pdbx_vrpt_summary.PDB_deposition_date         2021-09-29
_pdbx_vrpt_summary.PDB_revision_number         1
_pdbx_vrpt_summary.PDB_revision_date           2022-10-05
_pdbx_vrpt_summary.report_creation_date        2022-09-26:19:53
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,buster-report,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   Y
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*UP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3')"  
2  polymer      "DNA (5'-D(P*CP*CP*AP*(5CM)P*AP*CP*A)-3')"  
3  polymer      "DNA (5'-D(P*GP*GP*CP*TP*GP*CP*T)-3')"  
4  polymer      "DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3')"  
5  non-polymer  "MERCURY (II) ION"  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  4  
E  5  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  3.89  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore    
2  RSRZ_outliers_percent  
3  R_value_R_free         
#
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    8.76  141614     ?     ?  
2  2  1   37.95    1004  3.68  4.12  
3  1  2  100.00  127900     ?     ?  
4  2  2  100.00    1275  3.60  4.20  
5  1  3   36.52  130704     ?     ?  
6  2  3   90.94    1002  3.66  4.14  
#
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  2  B  100.00  
4  4  2  B  1  2  B  100.00  
5  3  2  C  1  3  C  100.00  
6  4  2  C  1  3  C  100.00  
7  3  2  D  1  4  D  100.00  
8  4  2  D  1  4  D  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  1.55  2.22  480  739  
2  1  2  B  B  1.00  0.81  133  199  
3  1  3  C  C  1.08  0.71  160  245  
4  1  4  D  D  1.16  1.15  161  245  
#
_pdbx_vrpt_summary_geometry.ordinal          1
_pdbx_vrpt_summary_geometry.clashscore       20.29
_pdbx_vrpt_summary_geometry.num_H_reduce     473
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ   934
_pdbx_vrpt_summary_geometry.bonds_RMSZ       1.71
_pdbx_vrpt_summary_geometry.num_angles_RMSZ  1428
_pdbx_vrpt_summary_geometry.angles_RMSZ      1.35
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            57.607
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         229.456
_pdbx_vrpt_summary_diffraction.I_over_sigma              0.65(3.89A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        2457
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.111
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.474
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.301
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.976
_pdbx_vrpt_summary_diffraction.twin_fraction             h,-h-k,-l:0.066
_pdbx_vrpt_summary_diffraction.DCC_R                     0.24
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.25
_pdbx_vrpt_summary_diffraction.EDS_R                     0.25
_pdbx_vrpt_summary_diffraction.EDS_res_high              3.89
_pdbx_vrpt_summary_diffraction.EDS_res_low               64.96
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[231.431,231.431,185.016,-0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.215
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 7.26% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         62.74
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      240
_pdbx_vrpt_summary_diffraction.percent_free_reflections  9.77
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       3.89
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        32.55
_pdbx_vrpt_summary_diffraction.PDB_R                     0.24
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.25
#
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_symm_clashes
_pdbx_vrpt_model_instance.count_mogul_bond_outliers
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
_pdbx_vrpt_model_instance.ligand_of_interest
 1  1  1  A   1  DG   A    1  .  ?        ?     ?     ?     1     ?     ?     ?  ?     
 2  1  1  A   2  DA   A    2  .  ?        ?     1     1     ?     ?     ?     ?  ?     
 3  1  1  A   3  DG   A    3  .  ?        ?     ?     2     ?     ?     ?     ?  ?     
 4  1  1  A   4  DC   A    4  .  ?        ?     ?     2     ?     ?     ?     ?  ?     
 5  1  1  A   5  DA   A    5  .  ?        ?     ?     3     ?     ?     ?     ?  ?     
 6  1  1  A   6  DG   A    6  .  ?        ?     ?     2     ?     ?     ?     ?  ?     
 7  1  1  A   7  DC   A    7  .  ?        ?     ?     ?     ?     ?     ?     ?  ?     
 8  1  1  A   8  DC   A    8  .  ?        ?     ?     3     ?     ?     ?     ?  ?     
 9  1  1  A   9  DT   A    9  .  ?        ?     ?     2     ?     ?     ?     ?  ?     
10  1  1  A  10  DG   A   10  .  ?        ?     ?     3     ?     ?     ?     ?  ?     
11  1  1  A  11  DT   A   11  .  ?        ?     1     3     ?     ?     ?     ?  ?     
12  1  1  A  12  DU   A   12  .  ?       13     9     5     ?     ?     ?     ?  ?     
13  1  1  A  13  DT   A   13  .  ?        ?     ?     ?     ?     ?     ?     ?  ?     
14  1  1  A  14  DG   A   14  .  ?        ?     ?     1     ?     ?     ?     ?  ?     
15  1  1  A  15  DG   A   15  .  ?        ?     ?     3     ?     ?     ?     ?  ?     
16  1  1  A  16  DA   A   16  .  ?        ?     ?     2     ?     ?     ?     ?  ?     
17  1  1  A  17  DC   A   17  .  ?        ?     ?     ?     ?     ?     ?     ?  ?     
18  1  1  A  18  DA   A   18  .  ?        ?     ?     ?     ?     ?     ?     ?  ?     
19  1  1  A  19  DT   A   19  .  ?        ?     ?     ?     ?     ?     ?     ?  ?     
20  1  1  A  20  DC   A   20  .  ?        ?     ?     ?     ?     ?     ?     ?  ?     
21  1  1  A  21  DA   A   21  .  ?        ?     ?     ?     ?     ?     ?     ?  ?     
22  1  2  B   1  DC   B    1  .  ?        ?     ?     ?     ?     ?     ?     ?  ?     
23  1  2  B   2  DC   B    2  .  ?        ?     ?     ?     ?     ?     ?     ?  ?     
24  1  2  B   3  DA   B    3  .  ?        ?     ?     2     ?     ?     ?     ?  ?     
25  1  2  B   4  5CM  B    4  .  ?        ?     ?     2     ?    10     5     2  ?     
26  1  2  B   5  DA   B    5  .  ?        ?     ?     ?     ?     ?     ?     ?  ?     
27  1  2  B   6  DC   B    6  .  ?        ?     ?     ?     ?     ?     ?     ?  ?     
28  1  2  B   7  DA   B    7  .  ?        ?     ?     2     ?     ?     ?     ?  ?     
29  1  3  C   1  DG   C    8  .  ?        ?     ?     5     ?     ?     ?     ?  ?     
30  1  3  C   2  DG   C    9  .  ?        ?     ?     1     ?     ?     ?     ?  ?     
31  1  3  C   3  DC   C   10  .  ?        ?     ?     ?     ?     ?     ?     ?  ?     
32  1  3  C   4  DT   C   11  .  ?        ?     2     ?     ?     ?     ?     ?  ?     
33  1  3  C   5  DG   C   12  .  ?        ?     ?     ?     ?     ?     ?     ?  ?     
34  1  3  C   6  DC   C   13  .  ?        ?     ?     ?     ?     ?     ?     ?  ?     
35  1  3  C   7  DT   C   14  .  ?        ?     1     ?     ?     ?     ?     ?  ?     
36  1  4  D   1  DC   D    1  .  ?        1     ?     2     1     ?     ?     ?  ?     
37  1  4  D   2  DT   D    2  .  ?        ?     1     5     ?     ?     ?     ?  ?     
38  1  4  D   3  DG   D    3  .  ?        ?     ?     3     ?     ?     ?     ?  ?     
39  1  4  D   4  DA   D    4  .  ?        ?     ?     ?     ?     ?     ?     ?  ?     
40  1  4  D   5  DT   D    5  .  ?        ?     ?     ?     ?     ?     ?     ?  ?     
41  1  4  D   6  DG   D    6  .  ?        ?     ?     ?     ?     ?     ?     ?  ?     
42  1  4  D   7  DT   D    7  .  ?        ?     ?     ?     ?     ?     ?     ?  ?     
43  1  5  E   .  HG   B  101  .  ?        ?     ?     ?     ?     ?     ?     ?  Y     
#
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    12  308.280    22  0.76    35  1.03  molprobity  1.000  
 2   2    11  299.480    24  0.87    37  1.64  molprobity  1.000  
 3   3    11  310.290    25  0.93    39  1.07  molprobity  1.000  
 4   4    11  316.350    21  1.26    32  1.06  molprobity  1.000  
 5   5    11  332.320    24  0.44    37  0.49  molprobity  1.000  
 6   6    11  344.180    25  0.49    39  0.69  molprobity  1.000  
 7   7    11  310.190    21  0.86    32  1.10  molprobity  1.000  
 8   8    11  317.230    21  1.12    32  1.21  molprobity  1.000  
 9   9    12  316.840    22  1.03    34  1.51  molprobity  1.000  
10  10    11  268.800    25  1.11    39  1.40  molprobity  1.000  
11  11    12  259.170    22  0.93    34  1.91  molprobity  1.000  
12  12     7  290.600    21  9.86    32  5.05  molprobity  1.000  
13  13    12  262.780    22  0.79    34  1.29  molprobity  1.000  
14  14    11  293.570    25  1.12    39  1.10  molprobity  1.000  
15  15    11  302.950    25  0.71    39  1.35  molprobity  1.000  
16  16    11  287.250    24  0.64    37  0.63  molprobity  1.000  
17  17    11  264.320    21  0.65    32  1.09  molprobity  1.000  
18  18    11  268.650    24  0.68    37  0.72  molprobity  1.000  
19  19    12  273.470    22  0.84    34  1.35  molprobity  1.000  
20  20    11  261.290    21  0.53    32  0.68  molprobity  1.000  
21  21    12  262.920    23  0.52    33  0.93  molprobity  1.000  
22  22    11  228.290    21  0.83    32  0.88  molprobity  1.000  
23  23    11  244.670    21  0.99    32  0.88  molprobity  1.000  
24  24    11  234.380    23  0.67    33  0.97  molprobity  1.000  
25  25    12  295.360    17  3.99    24  1.79  mogul       1.000  
26  26    11  262.510    24  0.59    37  0.79  molprobity  1.000  
27  27    11  268.260    21  0.75    32  1.01  molprobity  1.000  
28  28    12  263.170    23  0.96    33  1.36  molprobity  1.000  
29  29    11  234.880    25  0.77    39  0.82  molprobity  1.000  
30  30    11  251.540    25  0.64    39  0.76  molprobity  1.000  
31  31    11  276.060    21  0.72    32  0.85  molprobity  1.000  
32  32    12  312.830    22  0.75    34  1.69  molprobity  1.000  
33  33    11  326.600    25  0.77    39  0.86  molprobity  1.000  
34  34    11  323.600    21  0.63    32  0.77  molprobity  1.000  
35  35    13  323.280    21  0.62    30  1.53  molprobity  1.000  
36  36    11  315.480    22  2.39    32  1.21  molprobity  1.000  
37  37    12  280.980    22  0.94    34  1.52  molprobity  1.000  
38  38    11  264.790    25  0.69    39  1.21  molprobity  1.000  
39  39    11  244.460    24  0.80    37  0.62  molprobity  1.000  
40  40    12  231.040    22  0.49    34  1.33  molprobity  1.000  
41  41    11  216.170    25  0.78    39  0.65  molprobity  1.000  
42  42    13  208.770    21  0.93    30  1.35  molprobity  1.000  
43  43     ?  153.350     ?     ?     ?     ?  ?           0.450  
#
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  "H1'"    1  0.42  2.18  
 2   3  "H2''"   2  0.65  1.96  
 3   3  OP2      1  0.42  2.18  
 4   4  "O5'"    2  0.65  1.96  
 5   4  "H2'"    3  0.64  2.32  
 6   5  C8       3  0.64  2.32  
 7   5  C4       4  0.41  3.08  
 8   5  C4       5  0.41  2.88  
 9   6  C8       4  0.41  3.08  
10   6  N7       5  0.41  2.88  
11   8  "H5''"   6  0.59  1.66  
12   8  H6       6  0.59  1.66  
13   8  "H2'"    7  0.47  2.49  
14   9  "H2'"    8  0.73  2.23  
15   9  C6       7  0.47  2.49  
16  10  C8       8  0.73  2.23  
17  10  "H2'"    9  0.63  2.34  
18  10  "H2'"   10  0.57  2.38  
19  11  C6       9  0.63  2.34  
20  11  C5      10  0.57  2.38  
21  11  "H1'"   11  0.46  2.15  
22  12  H6      12  0.61  2.00  
23  12  OP1     12  0.61  2.00  
24  12  OP2     11  0.46  2.15  
25  12  OP2     13  0.43  2.36  
26  12  "O4'"   13  0.43  2.36  
27  14  "H2''"  14  0.61  2.36  
28  15  C8      14  0.61  2.36  
29  15  "H4'"   15  0.46  2.15  
30  15  "H1'"   16  0.40  2.56  
31  16  OP1     15  0.46  2.15  
32  16  C8      16  0.40  2.56  
33  24  N7      17  0.61  2.15  
34  24  "H2''"  18  0.54  2.06  
35  25  H5A2    17  0.61  2.15  
36  25  OP2     18  0.54  2.06  
37  28  "H1'"   19  0.59  1.84  
38  28  "C1'"   20  0.44  2.48  
39  29  "H1'"   19  0.59  1.84  
40  29  "H1'"   20  0.44  2.48  
41  29  "H3'"   21  0.46  1.80  
42  29  "H2'"   22  0.42  2.34  
43  29  N3      22  0.42  2.34  
44  30  H8      21  0.46  1.80  
45  36  "H1'"   23  0.41  2.20  
46  36  "H2''"  24  0.41  2.20  
47  37  "H2'"   25  0.51  2.45  
48  37  "H2'"   26  0.48  1.78  
49  37  "H2''"  27  0.49  2.13  
50  37  OP2     23  0.41  2.20  
51  37  OP1     24  0.41  2.20  
52  38  C8      25  0.51  2.45  
53  38  "O5'"   27  0.49  2.13  
54  38  H8      26  0.48  1.78  
#
loop_
_pdbx_vrpt_instance_symm_clashes.ordinal
_pdbx_vrpt_instance_symm_clashes.instance_id
_pdbx_vrpt_instance_symm_clashes.label_atom_id
_pdbx_vrpt_instance_symm_clashes.scid
_pdbx_vrpt_instance_symm_clashes.symop
_pdbx_vrpt_instance_symm_clashes.clashmag
_pdbx_vrpt_instance_symm_clashes.dist
1   1  O6  0  1_555  0.02  2.18  
2  36  N4  0  7_544  0.02  2.18  
#
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
 1  12  "C2'"  "C1'"  1.630  1.519  0.010   11.15  
 2  12  C2     N3     1.497  1.373  0.007   17.77  
 3  12  "C3'"  "C2'"  1.231  1.518  0.012  -23.94  
 4  12  "C3'"  "O3'"  1.529  1.435  0.013    7.26  
 5  12  "C4'"  "C3'"  1.601  1.529  0.010    7.21  
 6  12  C4     C5     1.498  1.431  0.009    7.47  
 7  12  C4     O4     1.191  1.232  0.008   -5.18  
 8  12  "C5'"  "C4'"  1.440  1.509  0.011   -6.27  
 9  12  C5     C6     1.514  1.337  0.009   19.67  
10  12  N1     C2     1.479  1.381  0.009   10.92  
11  12  N1     C6     1.466  1.375  0.009   10.16  
12  12  N3     C4     1.449  1.380  0.009    7.66  
13  12  "O4'"  "C1'"  1.308  1.418  0.012   -9.19  
14  36  OP3    P      1.481  1.607  0.012  -10.49  
#
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
 1   2  "O4'"  "C1'"  N9     113.102  108.000  0.700   7.29  
 2  11  "O4'"  "C1'"  N1     112.059  108.000  0.700   5.80  
 3  12  C2     N3     C4     121.117  127.000  0.600  -9.80  
 4  12  "C3'"  "C2'"  "C1'"  108.600  102.500  1.200   5.08  
 5  12  "C4'"  "C3'"  "C2'"  109.448  103.100  0.900   7.05  
 6  12  C6     N1     C2     115.269  121.000  0.600  -9.55  
 7  12  N1     C2     N3     123.410  114.900  0.600  14.18  
 8  12  N1     C2     O2     116.501  122.800  0.700  -9.00  
 9  12  "O4'"  "C1'"  N1     114.057  108.000  0.700   8.65  
10  12  "O4'"  "C4'"  "C3'"  102.300  104.500  0.400  -5.50  
11  12  P      "O5'"  "C5'"  111.633  120.900  1.600  -5.79  
12  32  C5     C4     O4     121.272  124.900  0.700  -5.18  
13  32  N3     C4     O4     123.560  119.900  0.600   6.10  
14  35  N3     C4     O4     123.190  119.900  0.600   5.48  
15  37  N3     C4     O4     122.938  119.900  0.600   5.06  
#
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  25  C2     N1     1.33  1.40   396  0.02  -3.12  0.00  
 2  25  O2     C2     1.19  1.23   821  0.02  -2.21  0.00  
 3  25  C4     N4     1.46  1.34   961  0.03   4.63  0.01  
 4  25  C5A    C5     1.56  1.50  6628  0.02   2.12  0.00  
 5  25  C6     C5     1.41  1.34   855  0.02   4.27  0.00  
 6  25  "C2'"  "C1'"  1.32  1.52   864  0.03  -6.96  0.01  
 7  25  "O4'"  "C1'"  1.52  1.42  1029  0.02   4.40  0.00  
 8  25  "C2'"  "C3'"  1.64  1.52   898  0.03   4.36  0.01  
 9  25  "C3'"  "C4'"  1.28  1.53   561  0.03  -8.84  0.08  
10  25  "O4'"  "C4'"  1.58  1.45  4334  0.02   6.12  0.00  
#
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  25  C5     C4     N3     117.98  121.67   27  1.08  -3.42  1.75  
2  25  C5     C6     N1     119.75  123.34  431  1.03  -3.49  0.07  
3  25  "O4'"  "C1'"  N1     115.72  107.86  804  1.79   4.40  0.17  
4  25  "O4'"  "C1'"  "C2'"  102.09  106.25  823  1.89  -2.20  0.01  
5  25  "C4'"  "O4'"  "C1'"  101.81  109.45  797  2.42  -3.16  0.34  
#
loop_
_pdbx_vrpt_instance_mogul_torsion_outliers.ordinal
_pdbx_vrpt_instance_mogul_torsion_outliers.instance_id
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_1
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_2
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_3
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_4
_pdbx_vrpt_instance_mogul_torsion_outliers.obsval
_pdbx_vrpt_instance_mogul_torsion_outliers.mean
_pdbx_vrpt_instance_mogul_torsion_outliers.numobs
_pdbx_vrpt_instance_mogul_torsion_outliers.stdev
_pdbx_vrpt_instance_mogul_torsion_outliers.mindiff
_pdbx_vrpt_instance_mogul_torsion_outliers.local_density
1  25  "C3'"  "C4'"  "C5'"  "O5'"  105.48  53.48  451  10.58   5.33  0.22  
2  25  "O4'"  "C4'"  "C5'"  "O5'"  -13.81  56.82  451  24.10  21.24  0.00  
#
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  19  0.963  0.055  -1.587  
 2   2  21  0.929  0.053  -1.563  
 3   3  22  0.938  0.054  -1.597  
 4   4  19  0.954  0.051  -1.617  
 5   5  21  0.890  0.066  -1.448  
 6   6  22  0.922  0.082  -1.331  
 7   7  19  0.919  0.081  -1.354  
 8   8  19  0.934  0.062  -1.521  
 9   9  20  0.910  0.078  -1.508  
10  10  22  0.931  0.074  -1.407  
11  11  20  0.962  0.078  -1.508  
12  12  19  0.928  0.081       ?  
13  13  20  0.919  0.103  -1.280  
14  14  22  0.947  0.088  -1.274  
15  15  22  0.944  0.069  -1.454  
16  16  21  0.979  0.036  -1.713  
17  17  19  0.969  0.045  -1.669  
18  18  21  0.935  0.065  -1.457  
19  19  20  0.943  0.077  -1.517  
20  20  19  0.951  0.077  -1.389  
21  21  21  0.966  0.066  -1.448  
22  22  19  0.936  0.063  -1.512  
23  23  19  0.969  0.049  -1.634  
24  24  21  0.962  0.056  -1.537  
25  25  20  0.950  0.081       ?  
26  26  21  0.889  0.074  -1.378  
27  27  19  0.857  0.101  -1.179  
28  28  21  0.832  0.091  -1.228  
29  29  22  0.947  0.067  -1.473  
30  30  22  0.951  0.077  -1.379  
31  31  19  0.935  0.076  -1.398  
32  32  20  0.938  0.111  -1.207  
33  33  22  0.939  0.077  -1.379  
34  34  19  0.942  0.051  -1.617  
35  35  20  0.926  0.090  -1.399  
36  36  20  0.949  0.061  -1.529  
37  37  20  0.947  0.047  -1.790  
38  38  22  0.932  0.072  -1.426  
39  39  21  0.954  0.055  -1.545  
40  40  20  0.980  0.057  -1.699  
41  41  22  0.965  0.067  -1.473  
42  42  20  0.949  0.078  -1.508  
43  43   1  0.990  0.036       ?  
#
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          2.31.2                                                                Y  
4  dcc          "2.26  (2020-01-20)"                                                  Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
