data_4F2Y

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB  4F2Y    
NDB  NA1781  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    4F2Y
_pdbx_vrpt_summary.PDB_deposition_date         2012-05-08
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-09-13
_pdbx_vrpt_summary.report_creation_date        2023-09-07:09:23
_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      "5'-D(*GP*CP*GP*TP*AP*(XTF)P*AP*CP*GP*C)-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  1.59  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   99.96  141614     ?     ?  
2  2  1   99.95    3665  1.60  1.60  
3  1  2  100.00  127900     ?     ?  
4  2  2  100.00    3321  1.60  1.60  
5  1  3   27.11  130704     ?     ?  
6  2  3    5.27    3398  1.60  1.60  
#
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  0.70  0.43  203  309  
2  1  1  B  B  0.84  0.38  203  309  
#
_pdbx_vrpt_summary_geometry.ordinal          1
_pdbx_vrpt_summary_geometry.clashscore       0.00
_pdbx_vrpt_summary_geometry.num_H_reduce     230
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ   406
_pdbx_vrpt_summary_geometry.bonds_RMSZ       0.41
_pdbx_vrpt_summary_geometry.num_angles_RMSZ  618
_pdbx_vrpt_summary_geometry.angles_RMSZ      0.77
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 147.036
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            34.437
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         15.935
_pdbx_vrpt_summary_diffraction.I_over_sigma              9.86(1.59A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        6417
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.283
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.344
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.494
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.328
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.961
_pdbx_vrpt_summary_diffraction.DCC_R                     0.18
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.26
_pdbx_vrpt_summary_diffraction.EDS_R                     0.19
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.59
_pdbx_vrpt_summary_diffraction.EDS_res_low               29.88
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[15.381,16.891,15.595,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.095
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 19.70% 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          1
_pdbx_vrpt_summary_diffraction.data_completeness         99.60
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      486
_pdbx_vrpt_summary_diffraction.percent_free_reflections  7.57
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.59
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        29.88
_pdbx_vrpt_summary_diffraction.PDB_R                     0.19
_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_angle_outliers
_pdbx_vrpt_model_instance.count_mogul_bond_outliers
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
 1  1  1  A   1  DG   A  101  .  ?        ?     ?     ?  
 2  1  1  A   2  DC   A  102  .  ?        ?     ?     ?  
 3  1  1  A   3  DG   A  103  .  ?        ?     ?     ?  
 4  1  1  A   4  DT   A  104  .  ?        ?     ?     ?  
 5  1  1  A   5  DA   A  105  .  ?        ?     ?     ?  
 6  1  1  A   6  XTF  A  106  .  ?        ?     4     6  
 7  1  1  A   7  DA   A  107  .  ?        ?     ?     ?  
 8  1  1  A   8  DC   A  108  .  ?        ?     ?     ?  
 9  1  1  A   9  DG   A  109  .  ?        ?     ?     ?  
10  1  1  A  10  DC   A  110  .  ?        ?     ?     ?  
11  1  1  B   1  DG   B  201  .  ?        ?     ?     ?  
12  1  1  B   2  DC   B  202  .  ?        ?     ?     ?  
13  1  1  B   3  DG   B  203  .  ?        ?     ?     ?  
14  1  1  B   4  DT   B  204  .  ?        ?     ?     ?  
15  1  1  B   5  DA   B  205  .  ?        ?     ?     ?  
16  1  1  B   6  XTF  B  206  .  ?        ?     2     9  
17  1  1  B   7  DA   B  207  .  ?        ?     ?     ?  
18  1  1  B   8  DC   B  208  .  ?        ?     ?     ?  
19  1  1  B   9  DG   B  209  .  ?        1     ?     ?  
20  1  1  B  10  DC   B  210  .  ?        ?     ?     ?  
21  1  2  C   .  MG   A  201  .  ?        ?     ?     ?  
22  1  2  D   .  MG   B  301  .  ?        ?     ?     ?  
23  1  3  E   .  HOH  A  301  .  ?        ?     ?     ?  
24  1  3  E   .  HOH  A  302  .  ?        ?     ?     ?  
25  1  3  E   .  HOH  A  303  .  ?        ?     ?     ?  
26  1  3  E   .  HOH  A  304  .  ?        ?     ?     ?  
27  1  3  E   .  HOH  A  305  .  ?        ?     ?     ?  
28  1  3  E   .  HOH  A  306  .  ?        ?     ?     ?  
29  1  3  E   .  HOH  A  307  .  ?        ?     ?     ?  
30  1  3  E   .  HOH  A  308  .  ?        ?     ?     ?  
31  1  3  E   .  HOH  A  309  .  ?        ?     ?     ?  
32  1  3  E   .  HOH  A  310  .  ?        ?     ?     ?  
33  1  3  E   .  HOH  A  311  .  ?        ?     ?     ?  
34  1  3  E   .  HOH  A  312  .  ?        ?     ?     ?  
35  1  3  E   .  HOH  A  313  .  ?        ?     ?     ?  
36  1  3  E   .  HOH  A  314  .  ?        ?     ?     ?  
37  1  3  E   .  HOH  A  315  .  ?        ?     ?     ?  
38  1  3  E   .  HOH  A  316  .  ?        ?     ?     ?  
39  1  3  E   .  HOH  A  317  .  ?        ?     ?     ?  
40  1  3  E   .  HOH  A  318  .  ?        ?     ?     ?  
41  1  3  E   .  HOH  A  319  .  ?        ?     ?     ?  
42  1  3  E   .  HOH  A  320  .  ?        ?     ?     ?  
43  1  3  F   .  HOH  B  401  .  ?        ?     ?     ?  
44  1  3  F   .  HOH  B  402  .  ?        ?     ?     ?  
45  1  3  F   .  HOH  B  403  .  ?        ?     ?     ?  
46  1  3  F   .  HOH  B  404  .  ?        ?     ?     ?  
47  1  3  F   .  HOH  B  405  .  ?        ?     ?     ?  
48  1  3  F   .  HOH  B  406  .  ?        ?     ?     ?  
49  1  3  F   .  HOH  B  407  .  ?        ?     ?     ?  
50  1  3  F   .  HOH  B  408  .  ?        ?     ?     ?  
51  1  3  F   .  HOH  B  409  .  ?        ?     ?     ?  
52  1  3  F   .  HOH  B  410  .  ?        ?     ?     ?  
53  1  3  F   .  HOH  B  411  .  ?        ?     ?     ?  
54  1  3  F   .  HOH  B  412  .  ?        ?     ?     ?  
55  1  3  F   .  HOH  B  413  .  ?        ?     ?     ?  
56  1  3  F   .  HOH  B  414  .  ?        ?     ?     ?  
57  1  3  F   .  HOH  B  415  .  ?        ?     ?     ?  
58  1  3  F   .  HOH  B  416  .  ?        ?     ?     ?  
59  1  3  F   .  HOH  B  417  .  ?        ?     ?     ?  
60  1  3  F   .  HOH  B  418  .  ?        ?     ?     ?  
61  1  3  F   .  HOH  B  419  .  ?        ?     ?     ?  
62  1  3  F   .  HOH  B  420  .  ?        ?     ?     ?  
63  1  3  F   .  HOH  B  421  .  ?        ?     ?     ?  
64  1  3  F   .  HOH  B  422  .  ?        ?     ?     ?  
65  1  3  F   .  HOH  B  423  .  ?        ?     ?     ?  
66  1  3  F   .  HOH  B  424  .  ?        ?     ?     ?  
67  1  3  F   .  HOH  B  425  .  ?        ?     ?     ?  
68  1  3  F   .  HOH  B  426  .  ?        ?     ?     ?  
69  1  3  F   .  HOH  B  427  .  ?        ?     ?     ?  
70  1  3  F   .  HOH  B  428  .  ?        ?     ?     ?  
71  1  3  F   .  HOH  B  429  .  ?        ?     ?     ?  
72  1  3  F   .  HOH  B  430  .  ?        ?     ?     ?  
73  1  3  F   .  HOH  B  431  .  ?        ?     ?     ?  
74  1  3  F   .  HOH  B  432  .  ?        ?     ?     ?  
#
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  21.740    22  0.46    35  0.32  molprobity  1.000  
 2   2    11  18.750    21  0.35    32  0.63  molprobity  1.000  
 3   3    11  15.880    25  0.61    39  0.78  molprobity  1.000  
 4   4    12  16.910    22  0.53    34  0.66  molprobity  1.000  
 5   5    11  16.540    23  0.31    33  0.60  molprobity  1.000  
 6   6    13  18.400    17  1.67    20  2.11  mogul       1.000  
 7   7    11  19.690    24  0.34    37  0.78  molprobity  1.000  
 8   8    11  20.330    21  0.42    32  1.01  molprobity  1.000  
 9   9    11  17.030    25  0.40    39  0.77  molprobity  1.000  
10  10    12  16.190    20  0.35    28  0.50  molprobity  1.000  
11  11    12  23.470    22  0.38    35  0.48  molprobity  1.000  
12  12    11  19.890    21  0.33    32  0.76  molprobity  1.000  
13  13    11  21.790    25  0.39    39  0.76  molprobity  1.000  
14  14    12  20.330    22  0.38    34  0.76  molprobity  1.000  
15  15    11  18.510    23  0.43    33  0.92  molprobity  1.000  
16  16    13  16.520    17  1.55    20  2.22  mogul       1.000  
17  17    11  16.340    24  0.43    37  0.68  molprobity  1.000  
18  18    11  19.570    21  0.37    32  0.97  molprobity  1.000  
19  19    11  19.010    25  0.34    39  1.07  molprobity  1.000  
20  20    12  19.880    20  0.32    28  0.99  molprobity  1.000  
21  21     ?  25.760     ?     ?     ?     ?  ?           1.000  
22  22     ?  10.830     ?     ?     ?     ?  ?           1.000  
23  23     ?  24.330     ?     ?     ?     ?  ?           1.000  
24  24     ?  19.200     ?     ?     ?     ?  ?           1.000  
25  25     ?  31.170     ?     ?     ?     ?  ?           1.000  
26  26     ?  28.600     ?     ?     ?     ?  ?           1.000  
27  27     ?  21.410     ?     ?     ?     ?  ?           1.000  
28  28     ?  24.860     ?     ?     ?     ?  ?           1.000  
29  29     ?  27.400     ?     ?     ?     ?  ?           1.000  
30  30     ?  31.590     ?     ?     ?     ?  ?           1.000  
31  31     ?  25.420     ?     ?     ?     ?  ?           1.000  
32  32     ?  26.700     ?     ?     ?     ?  ?           1.000  
33  33     ?  28.470     ?     ?     ?     ?  ?           1.000  
34  34     ?  24.490     ?     ?     ?     ?  ?           1.000  
35  35     ?  26.410     ?     ?     ?     ?  ?           1.000  
36  36     ?  26.850     ?     ?     ?     ?  ?           1.000  
37  37     ?  33.760     ?     ?     ?     ?  ?           1.000  
38  38     ?  24.940     ?     ?     ?     ?  ?           1.000  
39  39     ?  39.130     ?     ?     ?     ?  ?           1.000  
40  40     ?  21.910     ?     ?     ?     ?  ?           0.500  
41  41     ?  21.080     ?     ?     ?     ?  ?           1.000  
42  42     ?  28.280     ?     ?     ?     ?  ?           1.000  
43  43     ?  25.570     ?     ?     ?     ?  ?           1.000  
44  44     ?  25.930     ?     ?     ?     ?  ?           1.000  
45  45     ?  30.370     ?     ?     ?     ?  ?           1.000  
46  46     ?  25.760     ?     ?     ?     ?  ?           1.000  
47  47     ?  27.290     ?     ?     ?     ?  ?           1.000  
48  48     ?  31.480     ?     ?     ?     ?  ?           1.000  
49  49     ?  22.940     ?     ?     ?     ?  ?           1.000  
50  50     ?  26.600     ?     ?     ?     ?  ?           1.000  
51  51     ?  22.790     ?     ?     ?     ?  ?           1.000  
52  52     ?  19.870     ?     ?     ?     ?  ?           1.000  
53  53     ?  21.050     ?     ?     ?     ?  ?           1.000  
54  54     ?  18.420     ?     ?     ?     ?  ?           1.000  
55  55     ?  25.660     ?     ?     ?     ?  ?           1.000  
56  56     ?  24.730     ?     ?     ?     ?  ?           1.000  
57  57     ?  27.250     ?     ?     ?     ?  ?           1.000  
58  58     ?  24.820     ?     ?     ?     ?  ?           1.000  
59  59     ?  34.800     ?     ?     ?     ?  ?           1.000  
60  60     ?  11.030     ?     ?     ?     ?  ?           1.000  
61  61     ?  39.530     ?     ?     ?     ?  ?           1.000  
62  62     ?  30.420     ?     ?     ?     ?  ?           1.000  
63  63     ?  22.910     ?     ?     ?     ?  ?           1.000  
64  64     ?  41.890     ?     ?     ?     ?  ?           1.000  
65  65     ?  16.110     ?     ?     ?     ?  ?           1.000  
66  66     ?  26.890     ?     ?     ?     ?  ?           1.000  
67  67     ?  32.050     ?     ?     ?     ?  ?           1.000  
68  68     ?  32.400     ?     ?     ?     ?  ?           1.000  
69  69     ?  38.850     ?     ?     ?     ?  ?           1.000  
70  70     ?  33.550     ?     ?     ?     ?  ?           1.000  
71  71     ?  37.080     ?     ?     ?     ?  ?           1.000  
72  72     ?  15.650     ?     ?     ?     ?  ?           0.500  
73  73     ?  18.520     ?     ?     ?     ?  ?           1.000  
74  74     ?  25.210     ?     ?     ?     ?  ?           1.000  
#
_pdbx_vrpt_instance_intra_angle_outliers.ordinal      1
_pdbx_vrpt_instance_intra_angle_outliers.instance_id  19
_pdbx_vrpt_instance_intra_angle_outliers.atom_1       "O5'"
_pdbx_vrpt_instance_intra_angle_outliers.atom_2       P
_pdbx_vrpt_instance_intra_angle_outliers.atom_3       OP2
_pdbx_vrpt_instance_intra_angle_outliers.obs          101.001
_pdbx_vrpt_instance_intra_angle_outliers.mean         105.700
_pdbx_vrpt_instance_intra_angle_outliers.stdev        0.900
_pdbx_vrpt_instance_intra_angle_outliers.Z            -5.22
#
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   6  C2  N1  1.34  1.38   963  0.02  -2.38  0.00  
2   6  C6  C5  1.39  1.34   855  0.02   3.00  0.00  
3   6  C4  C5  1.38  1.44   632  0.02  -3.72  0.00  
4   6  C2  N3  1.34  1.38  2449  0.02  -2.18  0.00  
5  16  C6  C5  1.39  1.34   855  0.02   2.88  0.00  
6  16  C4  C5  1.39  1.44   632  0.02  -3.22  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   6  C5     C6     N1     120.23  123.34   431  1.03  -3.02  0.09  
 2   6  C5M    C5     C4     121.21  118.77   632  1.10   2.22  0.11  
 3   6  N3     C2     N1     119.26  114.89   961  1.33   3.29  0.23  
 4   6  C4     N3     C2     122.54  127.35  1185  1.30  -3.72  0.08  
 5   6  C5     C4     N3     119.45  115.31   629  0.85   4.85  0.24  
 6   6  O4     C4     C5     122.14  124.90   632  1.16  -2.38  0.06  
 7  16  F      "C2'"  "C3'"  111.60  108.85    66  0.89   3.10  0.98  
 8  16  C5     C6     N1     120.91  123.34   431  1.03  -2.36  0.05  
 9  16  C5M    C5     C6     119.52  122.85   855  1.34  -2.49  0.02  
10  16  C5M    C5     C4     122.00  118.77   632  1.10   2.94  0.10  
11  16  N3     C2     N1     120.07  114.89   961  1.33   3.90  0.03  
12  16  C4     N3     C2     121.94  127.35  1185  1.30  -4.18  0.10  
13  16  C5     C4     N3     118.68  115.31   629  0.85   3.95  0.02  
14  16  O4     C4     C5     122.48  124.90   632  1.16  -2.09  0.04  
15  16  "C3'"  "C4'"  "C6'"  112.67  108.24    33  1.97   2.25  0.47  
#
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  0.945  0.092  -0.104  
 2   2  19  0.972  0.071  -0.550  
 3   3  22  0.966  0.079  -0.356  
 4   4  20  0.941  0.108  -0.031  
 5   5  21  0.930  0.090  -0.197  
 6   6  22  0.950  0.092       ?  
 7   7  21  0.958  0.073  -0.446  
 8   8  19  0.950  0.089  -0.259  
 9   9  22  0.971  0.074  -0.453  
10  10  19  0.970  0.078  -0.437  
11  11  19  0.914  0.096  -0.027  
12  12  19  0.939  0.083  -0.356  
13  13  22  0.935  0.084  -0.259  
14  14  20  0.950  0.086  -0.372  
15  15  21  0.967  0.073  -0.446  
16  16  22  0.979  0.068       ?  
17  17  21  0.970  0.081  -0.329  
18  18  19  0.964  0.072  -0.534  
19  19  22  0.941  0.092  -0.104  
20  20  19  0.945  0.098  -0.113  
21  21   1  0.986  0.183       ?  
22  22   1  0.986  0.079       ?  
23  23   1  0.954  0.134       ?  
24  24   1  0.982  0.078       ?  
25  25   1  0.879  0.237       ?  
26  26   1  0.860  0.181       ?  
27  27   1  0.954  0.079       ?  
28  28   1  0.960  0.096       ?  
29  29   1  0.933  0.090       ?  
30  30   1  0.959  0.092       ?  
31  31   1  0.945  0.095       ?  
32  32   1  0.983  0.130       ?  
33  33   1  0.963  0.060       ?  
34  34   1  0.963  0.151       ?  
35  35   1  0.958  0.149       ?  
36  36   1  0.830  0.146       ?  
37  37   1  0.845  0.124       ?  
38  38   1  0.950  0.119       ?  
39  39   1  0.866  0.118       ?  
40  40   1  0.894  0.292       ?  
41  41   1  0.960  0.099       ?  
42  42   1  0.870  0.209       ?  
43  43   1  0.925  0.091       ?  
44  44   1  0.893  0.230       ?  
45  45   1  0.967  0.068       ?  
46  46   1  0.956  0.053       ?  
47  47   1  0.905  0.255       ?  
48  48   1  0.929  0.192       ?  
49  49   1  0.991  0.115       ?  
50  50   1  0.962  0.158       ?  
51  51   1  0.989  0.061       ?  
52  52   1  0.987  0.164       ?  
53  53   1  0.989  0.096       ?  
54  54   1  0.989  0.276       ?  
55  55   1  0.982  0.077       ?  
56  56   1  0.976  0.107       ?  
57  57   1  0.963  0.374       ?  
58  58   1  0.989  0.077       ?  
59  59   1  0.893  0.090       ?  
60  60   1  0.995  0.115       ?  
61  61   1  0.887  0.130       ?  
62  62   1  0.885  0.073       ?  
63  63   1  0.962  0.084       ?  
64  64   1  0.861  0.116       ?  
65  65   1  0.984  0.144       ?  
66  66   1  0.957  0.137       ?  
67  67   1  0.934  0.118       ?  
68  68   1  0.957  0.054       ?  
69  69   1  0.907  0.121       ?  
70  70   1  0.925  0.129       ?  
71  71   1  0.804  0.162       ?  
72  72   1  0.941  0.292       ?  
73  73   1  0.984  0.065       ?  
74  74   1  0.979  0.133       ?  
#
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          2.35                                                                  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  
##
