data_159D

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  159D
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    159D
_pdbx_vrpt_summary.PDB_deposition_date         1994-02-10
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2024-02-07
_pdbx_vrpt_summary.report_creation_date        2024-01-27:17:23
_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(*IP*CP*IP*CP*IP*CP*IP*C)-3')"  
2  non-polymer  "DISTAMYCIN A"  
3  non-polymer  "MAGNESIUM ION"  
4  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  4  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  1.8  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   99.96  141614     ?     ?  
2  2  1   99.97    6793  1.80  1.80  
3  1  2  100.00  127900     ?     ?  
4  2  2  100.00    5850  1.80  1.80  
#
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  
#
_pdbx_vrpt_summary_entity_geometry.ordinal          1
_pdbx_vrpt_summary_entity_geometry.PDB_model_num    1
_pdbx_vrpt_summary_entity_geometry.entity_id        1
_pdbx_vrpt_summary_entity_geometry.label_asym_id    A
_pdbx_vrpt_summary_entity_geometry.auth_asym_id     A
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ      2.16
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       1.06
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   80
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  112
#
_pdbx_vrpt_summary_geometry.ordinal          1
_pdbx_vrpt_summary_geometry.clashscore       0.00
_pdbx_vrpt_summary_geometry.num_H_reduce     111
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ   80
_pdbx_vrpt_summary_geometry.bonds_RMSZ       1.06
_pdbx_vrpt_summary_geometry.num_angles_RMSZ  112
_pdbx_vrpt_summary_geometry.angles_RMSZ      2.16
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 103.667
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            67.991
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         12.101
_pdbx_vrpt_summary_diffraction.num_miller_indices        2278
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.289
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.240
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.465
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.297
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.975
_pdbx_vrpt_summary_diffraction.DCC_R                     0.14
_pdbx_vrpt_summary_diffraction.EDS_R                     0.14
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.77
_pdbx_vrpt_summary_diffraction.EDS_res_low               9.09
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[13.452,13.452,9.875,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.292
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 13.56% 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         1
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         91.63
_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       1.80
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        10.00
_pdbx_vrpt_summary_diffraction.PDB_R                     0.15
#
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_symm_clashes
_pdbx_vrpt_model_instance.count_plane_outliers
_pdbx_vrpt_model_instance.count_mogul_bond_outliers
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
 1  1  1  A  1  DI   A   1  .  ?        ?     ?     ?     ?     ?  
 2  1  1  A  2  DC   A   2  .  ?        2     ?     ?     ?     ?  
 3  1  1  A  3  DI   A   3  .  ?        ?     ?     1     ?     ?  
 4  1  1  A  4  DC   A   4  .  ?        2     ?     ?     ?     ?  
 5  1  1  A  5  DI   A   5  .  ?        ?     ?     1     ?     ?  
 6  1  1  A  6  DC   A   6  .  ?        1     ?     1     ?     ?  
 7  1  1  A  7  DI   A   7  .  ?        ?     ?     ?     ?     ?  
 8  1  1  A  8  DC   A   8  .  ?        1     ?     ?     ?     ?  
 9  1  2  B  .  DMY  A   9  .  ?        ?     ?     ?    11     6  
10  1  3  C  .  MG   A  10  .  ?        ?     ?     ?     ?     ?  
11  1  4  D  .  HOH  A  11  .  ?        ?     ?     ?     ?     ?  
12  1  4  D  .  HOH  A  12  .  ?        ?     ?     ?     ?     ?  
13  1  4  D  .  HOH  A  13  .  ?        ?     ?     ?     ?     ?  
14  1  4  D  .  HOH  A  14  .  ?        ?     ?     ?     ?     ?  
15  1  4  D  .  HOH  A  15  .  ?        ?     ?     ?     ?     ?  
16  1  4  D  .  HOH  A  16  .  ?        ?     ?     ?     ?     ?  
17  1  4  D  .  HOH  A  17  .  ?        ?     ?     ?     ?     ?  
18  1  4  D  .  HOH  A  18  .  ?        ?     ?     ?     ?     ?  
19  1  4  D  .  HOH  A  19  .  ?        ?     ?     ?     ?     ?  
20  1  4  D  .  HOH  A  20  .  ?        ?     ?     ?     ?     ?  
21  1  4  D  .  HOH  A  21  .  ?        ?     ?     ?     ?     ?  
22  1  4  D  .  HOH  A  22  .  ?        ?     ?     ?     ?     ?  
23  1  4  D  .  HOH  A  23  .  ?        ?     ?     ?     ?     ?  
24  1  4  D  .  HOH  A  24  .  ?        ?     ?     ?     ?     ?  
25  1  4  D  .  HOH  A  25  .  ?        ?     ?     ?     ?     ?  
26  1  4  D  .  HOH  A  26  .  ?        ?     ?     ?     ?     ?  
27  1  4  D  .  HOH  A  27  .  ?        ?     ?     ?     ?     ?  
28  1  4  D  .  HOH  A  28  .  ?        ?     ?     ?     ?     ?  
29  1  4  D  .  HOH  A  29  .  ?        ?     ?     ?     ?     ?  
30  1  4  D  .  HOH  A  30  .  ?        ?     ?     ?     ?     ?  
31  1  4  D  .  HOH  A  31  .  ?        ?     ?     ?     ?     ?  
32  1  4  D  .  HOH  A  32  .  ?        ?     ?     ?     ?     ?  
33  1  4  D  .  HOH  A  33  .  ?        ?     ?     ?     ?     ?  
34  1  4  D  .  HOH  A  34  .  ?        ?     ?     ?     ?     ?  
35  1  4  D  .  HOH  A  35  .  ?        ?     ?     ?     ?     ?  
36  1  4  D  .  HOH  A  36  .  ?        ?     ?     ?     ?     ?  
37  1  4  D  .  HOH  A  37  .  ?        ?     ?     ?     ?     ?  
38  1  4  D  .  HOH  A  38  .  ?        ?     ?     ?     ?     ?  
39  1  4  D  .  HOH  A  39  .  ?        ?     ?     ?     ?     ?  
40  1  4  D  .  HOH  A  40  .  ?        ?     ?     ?     ?     ?  
41  1  4  D  .  HOH  A  41  .  ?        ?     2     ?     ?     ?  
42  1  4  D  .  HOH  A  42  .  ?        ?     ?     ?     ?     ?  
43  1  4  D  .  HOH  A  43  .  ?        ?     ?     ?     ?     ?  
44  1  4  D  .  HOH  A  44  .  ?        ?     ?     ?     ?     ?  
45  1  4  D  .  HOH  A  45  .  ?        ?     ?     ?     ?     ?  
46  1  4  D  .  HOH  A  46  .  ?        ?     ?     ?     ?     ?  
47  1  4  D  .  HOH  A  47  .  ?        ?     ?     ?     ?     ?  
48  1  4  D  .  HOH  A  48  .  ?        ?     ?     ?     ?     ?  
49  1  4  D  .  HOH  A  49  .  ?        ?     ?     ?     ?     ?  
50  1  4  D  .  HOH  A  50  .  ?        ?     ?     ?     ?     ?  
51  1  4  D  .  HOH  A  51  .  ?        ?     ?     ?     ?     ?  
52  1  4  D  .  HOH  A  52  .  ?        ?     ?     ?     ?     ?  
53  1  4  D  .  HOH  A  53  .  ?        ?     ?     ?     ?     ?  
54  1  4  D  .  HOH  A  54  .  ?        ?     ?     ?     ?     ?  
55  1  4  D  .  HOH  A  55  .  ?        ?     ?     ?     ?     ?  
56  1  4  D  .  HOH  A  56  .  ?        ?     ?     ?     ?     ?  
57  1  4  D  .  HOH  A  57  .  ?        ?     ?     ?     ?     ?  
58  1  4  D  .  HOH  A  58  .  ?        ?     ?     ?     ?     ?  
59  1  4  D  .  HOH  A  59  .  ?        ?     ?     ?     ?     ?  
60  1  4  D  .  HOH  A  60  .  ?        ?     ?     ?     ?     ?  
61  1  4  D  .  HOH  A  61  .  ?        ?     ?     ?     ?     ?  
62  1  4  D  .  HOH  A  62  .  ?        ?     ?     ?     ?     ?  
63  1  4  D  .  HOH  A  63  .  ?        ?     ?     ?     ?     ?  
64  1  4  D  .  HOH  A  64  .  ?        ?     ?     ?     ?     ?  
65  1  4  D  .  HOH  A  65  .  ?        ?     ?     ?     ?     ?  
66  1  4  D  .  HOH  A  66  .  ?        ?     ?     ?     ?     ?  
67  1  4  D  .  HOH  A  67  .  ?        ?     ?     ?     ?     ?  
68  1  4  D  .  HOH  A  68  .  ?        ?     ?     ?     ?     ?  
69  1  4  D  .  HOH  A  69  .  ?        ?     ?     ?     ?     ?  
70  1  4  D  .  HOH  A  70  .  ?        ?     ?     ?     ?     ?  
71  1  4  D  .  HOH  A  71  .  ?        ?     ?     ?     ?     ?  
72  1  4  D  .  HOH  A  72  .  ?        ?     ?     ?     ?     ?  
73  1  4  D  .  HOH  A  73  .  ?        ?     ?     ?     ?     ?  
74  1  4  D  .  HOH  A  74  .  ?        ?     ?     ?     ?     ?  
75  1  4  D  .  HOH  A  75  .  ?        ?     ?     ?     ?     ?  
#
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    10   8.870     ?     ?     ?     ?  ?           1.000  
 2   2    11  10.510    20  0.83    28  2.30  molprobity  1.000  
 3   3    10  10.880     ?     ?     ?     ?  ?           1.000  
 4   4    11  10.270    20  1.01    28  2.18  molprobity  1.000  
 5   5    10   9.230     ?     ?     ?     ?  ?           1.000  
 6   6    11   8.680    20  1.37    28  2.27  molprobity  1.000  
 7   7    10   9.720     ?     ?     ?     ?  ?           1.000  
 8   8    12   9.010    20  0.93    28  1.87  molprobity  1.000  
 9   9    26   8.380    34  1.59    27  1.67  mogul       1.000  
10  10     ?   9.220     ?     ?     ?     ?  ?           1.000  
11  11     ?   7.950     ?     ?     ?     ?  ?           1.000  
12  12     ?  16.990     ?     ?     ?     ?  ?           1.000  
13  13     ?  10.060     ?     ?     ?     ?  ?           1.000  
14  14     ?  10.770     ?     ?     ?     ?  ?           1.000  
15  15     ?  14.010     ?     ?     ?     ?  ?           1.000  
16  16     ?   9.150     ?     ?     ?     ?  ?           1.000  
17  17     ?  17.380     ?     ?     ?     ?  ?           1.000  
18  18     ?  20.280     ?     ?     ?     ?  ?           1.000  
19  19     ?   8.850     ?     ?     ?     ?  ?           1.000  
20  20     ?  10.930     ?     ?     ?     ?  ?           1.000  
21  21     ?  11.100     ?     ?     ?     ?  ?           1.000  
22  22     ?  30.420     ?     ?     ?     ?  ?           1.000  
23  23     ?  37.390     ?     ?     ?     ?  ?           1.000  
24  24     ?  22.470     ?     ?     ?     ?  ?           1.000  
25  25     ?  21.000     ?     ?     ?     ?  ?           1.000  
26  26     ?  38.080     ?     ?     ?     ?  ?           1.000  
27  27     ?  49.440     ?     ?     ?     ?  ?           1.000  
28  28     ?  26.430     ?     ?     ?     ?  ?           1.000  
29  29     ?  52.280     ?     ?     ?     ?  ?           1.000  
30  30     ?  51.580     ?     ?     ?     ?  ?           1.000  
31  31     ?  53.200     ?     ?     ?     ?  ?           1.000  
32  32     ?  48.200     ?     ?     ?     ?  ?           1.000  
33  33     ?  21.700     ?     ?     ?     ?  ?           1.000  
34  34     ?  35.090     ?     ?     ?     ?  ?           1.000  
35  35     ?  47.090     ?     ?     ?     ?  ?           1.000  
36  36     ?  57.970     ?     ?     ?     ?  ?           1.000  
37  37     ?  27.720     ?     ?     ?     ?  ?           1.000  
38  38     ?  39.500     ?     ?     ?     ?  ?           1.000  
39  39     ?  29.250     ?     ?     ?     ?  ?           1.000  
40  40     ?  25.020     ?     ?     ?     ?  ?           1.000  
41  41     ?  66.470     ?     ?     ?     ?  ?           1.000  
42  42     ?  54.280     ?     ?     ?     ?  ?           1.000  
43  43     ?  48.170     ?     ?     ?     ?  ?           1.000  
44  44     ?  65.550     ?     ?     ?     ?  ?           1.000  
45  45     ?  50.820     ?     ?     ?     ?  ?           1.000  
46  46     ?  70.760     ?     ?     ?     ?  ?           1.000  
47  47     ?  69.980     ?     ?     ?     ?  ?           1.000  
48  48     ?  60.670     ?     ?     ?     ?  ?           1.000  
49  49     ?  28.110     ?     ?     ?     ?  ?           1.000  
50  50     ?  58.100     ?     ?     ?     ?  ?           1.000  
51  51     ?  33.560     ?     ?     ?     ?  ?           1.000  
52  52     ?  27.860     ?     ?     ?     ?  ?           1.000  
53  53     ?  47.950     ?     ?     ?     ?  ?           1.000  
54  54     ?  47.490     ?     ?     ?     ?  ?           1.000  
55  55     ?  51.360     ?     ?     ?     ?  ?           1.000  
56  56     ?  64.690     ?     ?     ?     ?  ?           1.000  
57  57     ?  80.540     ?     ?     ?     ?  ?           1.000  
58  58     ?  60.920     ?     ?     ?     ?  ?           1.000  
59  59     ?  77.930     ?     ?     ?     ?  ?           1.000  
60  60     ?  91.270     ?     ?     ?     ?  ?           1.000  
61  61     ?  75.790     ?     ?     ?     ?  ?           1.000  
62  62     ?  28.510     ?     ?     ?     ?  ?           1.000  
63  63     ?  60.390     ?     ?     ?     ?  ?           1.000  
64  64     ?  75.720     ?     ?     ?     ?  ?           1.000  
65  65     ?  84.800     ?     ?     ?     ?  ?           1.000  
66  66     ?  54.600     ?     ?     ?     ?  ?           1.000  
67  67     ?  59.530     ?     ?     ?     ?  ?           1.000  
68  68     ?  63.140     ?     ?     ?     ?  ?           1.000  
69  69     ?  65.650     ?     ?     ?     ?  ?           1.000  
70  70     ?  73.890     ?     ?     ?     ?  ?           1.000  
71  71     ?  74.780     ?     ?     ?     ?  ?           1.000  
72  72     ?  58.610     ?     ?     ?     ?  ?           1.000  
73  73     ?  66.660     ?     ?     ?     ?  ?           1.000  
74  74     ?  67.100     ?     ?     ?     ?  ?           1.000  
75  75     ?  63.700     ?     ?     ?     ?  ?           1.000  
#
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  41  O  0  1_555  0.37  1.83  
2  41  O  0  8_555  0.37  1.83  
#
loop_
_pdbx_vrpt_instance_intra_plane_outliers.ordinal
_pdbx_vrpt_instance_intra_plane_outliers.instance_id
_pdbx_vrpt_instance_intra_plane_outliers.type
_pdbx_vrpt_instance_intra_plane_outliers.plane_rmsd
1  3  sidechain  0.07  
2  5  sidechain  0.09  
3  6  sidechain  0.06  
#
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  N1     C2     O2     122.414  118.900  0.600   5.86  
2  2  "O4'"  "C1'"  N1     111.537  108.000  0.700   5.05  
3  4  N1     C2     O2     122.554  118.900  0.600   6.09  
4  4  "O4'"  "C1'"  "C2'"  100.812  105.900  0.800  -6.36  
5  6  N1     C2     O2     122.970  118.900  0.600   6.78  
6  8  N1     C2     O2     122.158  118.900  0.600   5.43  
#
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  9  C2   N1   1.37  1.41    365  0.02  -2.06  0.00  
 2  9  C5   C2   1.41  1.38     62  0.01   2.77  0.01  
 3  9  C4   N2   1.41  1.36     20  0.02   2.54  0.03  
 4  9  C6   N2   1.52  1.47    764  0.02   2.17  0.00  
 5  9  C11  C8   1.40  1.38     62  0.01   2.17  0.00  
 6  9  C12  N4   1.53  1.47    764  0.02   2.53  0.00  
 7  9  C14  N5   1.37  1.41  10000  0.02  -2.31  0.00  
 8  9  C17  C14  1.41  1.38     62  0.01   2.81  0.01  
 9  9  C16  N6   1.41  1.36     20  0.02   2.28  0.02  
10  9  C18  N6   1.54  1.47    764  0.02   2.85  0.01  
11  9  C22  N8   1.33  1.27     29  0.03   2.01  0.01  
#
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  9  O1   C1   N1  130.11  125.80    94  1.27   3.38  1.46  
2  9  C3   C2   C5  104.97  106.05    29  0.49  -2.20  0.03  
3  9  O2   C7   N3  117.14  123.71  9192  2.28  -2.88  0.03  
4  9  C11  C8   C9  104.42  106.05    29  0.49  -3.33  0.52  
5  9  O3   C13  N5  117.10  123.71  9192  2.28  -2.89  0.00  
6  9  O4   C19  N7  115.75  122.61  5041  1.99  -3.44  0.01  
#
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  18  0.961  0.065       ?  
 2   2  19  0.977  0.064  -0.988  
 3   3  21  0.969  0.070       ?  
 4   4  19  0.966  0.080  -0.744  
 5   5  21  0.980  0.062       ?  
 6   6  19  0.979  0.067  -0.942  
 7   7  21  0.971  0.072       ?  
 8   8  19  0.973  0.068  -0.927  
 9   9  35  0.969  0.064       ?  
10  10   1  0.992  0.045       ?  
11  11   1  0.989  0.056       ?  
12  12   1  0.966  0.084       ?  
13  13   1  0.984  0.084       ?  
14  14   1  0.984  0.046       ?  
15  15   1  0.983  0.062       ?  
16  16   1  0.993  0.044       ?  
17  17   1  0.976  0.090       ?  
18  18   1  0.884  0.154       ?  
19  19   1  0.984  0.054       ?  
20  20   1  0.971  0.086       ?  
21  21   1  0.962  0.097       ?  
22  22   1  0.924  0.157       ?  
23  23   1  0.582  0.233       ?  
24  24   1  0.950  0.082       ?  
25  25   1  0.934  0.072       ?  
26  26   1  0.886  0.195       ?  
27  27   1  0.716  0.200       ?  
28  28   1  0.915  0.142       ?  
29  29   1  0.313  0.286       ?  
30  30   1  0.458  0.195       ?  
31  31   1  0.596  0.199       ?  
32  32   1  0.652  0.319       ?  
33  33   1  0.903  0.176       ?  
34  34   1  0.879  0.092       ?  
35  35   1  0.906  0.123       ?  
36  36   1  0.665  0.330       ?  
37  37   1  0.894  0.161       ?  
38  38   1  0.952  0.180       ?  
39  39   1  0.889  0.176       ?  
40  40   1  0.921  0.079       ?  
41  41   1  0.311  0.327       ?  
42  42   1  0.724  0.247       ?  
43  43   1  0.893  0.279       ?  
44  44   1  0.899  0.468       ?  
45  45   1  0.811  0.214       ?  
46  46   1  0.759  0.364       ?  
47  47   1  0.453  0.119       ?  
48  48   1  0.428  0.477       ?  
49  49   1  0.517  0.228       ?  
50  50   1  0.796  0.316       ?  
51  51   1  0.913  0.097       ?  
52  52   1  0.954  0.109       ?  
53  53   1  0.880  0.172       ?  
54  54   1  0.675  0.201       ?  
55  55   1  0.817  0.384       ?  
56  56   1  0.615  0.249       ?  
57  57   1  0.765  0.374       ?  
58  58   1  0.706  0.277       ?  
59  59   1  0.854  0.216       ?  
60  60   1  0.571  0.454       ?  
61  61   1  0.605  0.256       ?  
62  62   1  0.893  0.132       ?  
63  63   1  0.429  0.368       ?  
64  64   1  0.722  0.234       ?  
65  65   1  0.766  0.548       ?  
66  66   1  0.746  0.350       ?  
67  67   1  0.886  0.367       ?  
68  68   1  0.723  0.312       ?  
69  69   1  0.873  0.476       ?  
70  70   1  0.653  0.262       ?  
71  71   1  0.523  0.515       ?  
72  72   1  0.800  0.125       ?  
73  73   1  0.527  0.274       ?  
74  74   1  0.743  0.412       ?  
75  75   1  0.539  0.193       ?  
#
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  
##
