data_381D

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  381D
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    381D
_pdbx_vrpt_summary.PDB_deposition_date         1998-02-18
_pdbx_vrpt_summary.PDB_revision_number         5
_pdbx_vrpt_summary.PDB_revision_date           2024-02-21
_pdbx_vrpt_summary.report_creation_date        2024-02-11:09:10
_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(*TP*GP*GP*CP*CP*G)-3')"  
2  polymer      "DNA (5'-D(*TP*GP*(G49)P*CP*CP*G)-3')"  
3  non-polymer  "2'-BROMO-4'-EPIDAUNORUBICIN"  
4  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  3  
E  4  
F  4  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  2.1  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   22.08  141614     ?     ?  
2  2  1   19.28    5710  2.10  2.10  
3  1  2  100.00  127900     ?     ?  
4  2  2  100.00    5083  2.10  2.10  
#
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  
#
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  0.67  0.86  135  207  
2  1  2  B  B  0.75  0.80  109  164  
#
_pdbx_vrpt_summary_geometry.ordinal          1
_pdbx_vrpt_summary_geometry.clashscore       11.72
_pdbx_vrpt_summary_geometry.num_H_reduce     191
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ   244
_pdbx_vrpt_summary_geometry.bonds_RMSZ       0.83
_pdbx_vrpt_summary_geometry.num_angles_RMSZ  371
_pdbx_vrpt_summary_geometry.angles_RMSZ      0.71
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 144.888
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            83.610
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         31.418
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.73(1.89A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        3482
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.259
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.240
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.478
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.315
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.960
_pdbx_vrpt_summary_diffraction.DCC_R                     0.23
_pdbx_vrpt_summary_diffraction.EDS_R                     0.25
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.90
_pdbx_vrpt_summary_diffraction.EDS_res_low               37.20
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[27.953,27.953,39.727,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.369
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 13.69% 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         5
_pdbx_vrpt_summary_diffraction.centric_outliers          3
_pdbx_vrpt_summary_diffraction.data_completeness         81.30
_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       2.10
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        10.00
_pdbx_vrpt_summary_diffraction.PDB_R                     0.25
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.32
#
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_clashes
_pdbx_vrpt_model_instance.count_plane_outliers
_pdbx_vrpt_model_instance.count_mogul_bond_outliers
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
 1  1  1  A  1  DT   A   1  .  ?        2     ?     ?     ?     ?  
 2  1  1  A  2  DG   A   2  .  ?        3     ?     ?     ?     ?  
 3  1  1  A  3  DG   A   3  .  ?        2     ?     ?     ?     ?  
 4  1  1  A  4  DC   A   4  .  ?        1     ?     ?     ?     ?  
 5  1  1  A  5  DC   A   5  .  ?        ?     1     ?     ?     ?  
 6  1  1  A  6  DG   A   6  .  ?        2     ?     ?     ?     ?  
 7  1  2  B  1  DT   B   7  .  ?        ?     ?     ?     ?     ?  
 8  1  2  B  2  DG   B   8  .  ?        ?     ?     ?     ?     ?  
 9  1  2  B  3  G49  B   9  .  ?        ?     ?     3     ?     2  
10  1  2  B  4  DC   B  10  .  ?        ?     ?     ?     ?     ?  
11  1  2  B  5  DC   B  11  .  ?        ?     ?     ?     ?     ?  
12  1  2  B  6  DG   B  12  .  ?        2     ?     ?     ?     ?  
13  1  3  C  .  DM8  A  14  .  ?        ?     ?    18    14     1  
14  1  3  D  .  DM8  B  13  .  ?        ?     ?    12    10     ?  
15  1  4  E  .  HOH  A  21  .  ?        ?     ?     ?     ?     ?  
16  1  4  E  .  HOH  A  22  .  ?        ?     ?     ?     ?     ?  
17  1  4  E  .  HOH  A  25  .  ?        ?     ?     ?     ?     ?  
18  1  4  E  .  HOH  A  27  .  ?        ?     ?     ?     ?     ?  
19  1  4  E  .  HOH  A  34  .  ?        ?     ?     ?     ?     ?  
20  1  4  E  .  HOH  A  36  .  ?        ?     ?     ?     ?     ?  
21  1  4  E  .  HOH  A  37  .  ?        ?     ?     ?     ?     ?  
22  1  4  E  .  HOH  A  38  .  ?        ?     ?     ?     ?     ?  
23  1  4  E  .  HOH  A  39  .  ?        ?     ?     ?     ?     ?  
24  1  4  F  .  HOH  B  15  .  ?        ?     ?     ?     ?     ?  
25  1  4  F  .  HOH  B  16  .  ?        ?     ?     ?     ?     ?  
26  1  4  F  .  HOH  B  17  .  ?        ?     ?     ?     ?     ?  
27  1  4  F  .  HOH  B  18  .  ?        ?     ?     ?     ?     ?  
28  1  4  F  .  HOH  B  19  .  ?        ?     ?     ?     ?     ?  
29  1  4  F  .  HOH  B  20  .  ?        ?     ?     ?     ?     ?  
30  1  4  F  .  HOH  B  23  .  ?        ?     ?     ?     ?     ?  
31  1  4  F  .  HOH  B  24  .  ?        ?     ?     ?     ?     ?  
32  1  4  F  .  HOH  B  26  .  ?        ?     ?     ?     ?     ?  
33  1  4  F  .  HOH  B  28  .  ?        ?     ?     ?     ?     ?  
34  1  4  F  .  HOH  B  29  .  ?        ?     ?     ?     ?     ?  
35  1  4  F  .  HOH  B  30  .  ?        ?     ?     ?     ?     ?  
36  1  4  F  .  HOH  B  31  .  ?        ?     ?     ?     ?     ?  
37  1  4  F  .  HOH  B  32  .  ?        ?     ?     ?     ?     ?  
38  1  4  F  .  HOH  B  33  .  ?        ?     ?     ?     ?     ?  
39  1  4  F  .  HOH  B  35  .  ?        ?     ?     ?     ?     ?  
40  1  4  F  .  HOH  B  40  .  ?        ?     ?     ?     ?     ?  
#
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  30.820    19  0.78    30  0.67  molprobity  1.000  
 2   2    11  29.390    25  0.60    39  0.62  molprobity  1.000  
 3   3    11  33.110    25  0.67    39  0.54  molprobity  1.000  
 4   4    11  32.340    21  0.74    32  0.91  molprobity  1.000  
 5   5    11  23.350    21  0.65    32  0.67  molprobity  1.000  
 6   6    12  21.590    24  1.40    35  0.56  molprobity  1.000  
 7   7    13  33.460    19  1.04    30  0.83  molprobity  1.000  
 8   8    11  28.670    24  0.71    35  0.66  molprobity  1.000  
 9   9    11  28.700    18  1.26    16  0.80  mogul       1.000  
10  10    11  32.800    21  0.75    32  0.85  molprobity  1.000  
11  11    11  37.440    21  0.77    32  0.78  molprobity  1.000  
12  12    12  37.750    24  0.72    35  0.64  molprobity  1.000  
13  13    27  33.120    40  2.39    53  2.31  mogul       1.000  
14  14    26  22.040    40  2.19    53  1.76  mogul       1.000  
15  15     ?  39.850     ?     ?     ?     ?  ?           1.000  
16  16     ?  51.510     ?     ?     ?     ?  ?           1.000  
17  17     ?  34.430     ?     ?     ?     ?  ?           1.000  
18  18     ?  35.620     ?     ?     ?     ?  ?           1.000  
19  19     ?  45.030     ?     ?     ?     ?  ?           1.000  
20  20     ?  36.310     ?     ?     ?     ?  ?           1.000  
21  21     ?  32.130     ?     ?     ?     ?  ?           1.000  
22  22     ?  30.050     ?     ?     ?     ?  ?           1.000  
23  23     ?  49.040     ?     ?     ?     ?  ?           1.000  
24  24     ?  54.740     ?     ?     ?     ?  ?           1.000  
25  25     ?  42.800     ?     ?     ?     ?  ?           1.000  
26  26     ?  46.160     ?     ?     ?     ?  ?           1.000  
27  27     ?  40.020     ?     ?     ?     ?  ?           1.000  
28  28     ?  36.730     ?     ?     ?     ?  ?           1.000  
29  29     ?  61.100     ?     ?     ?     ?  ?           1.000  
30  30     ?  43.150     ?     ?     ?     ?  ?           1.000  
31  31     ?  54.750     ?     ?     ?     ?  ?           1.000  
32  32     ?  45.470     ?     ?     ?     ?  ?           1.000  
33  33     ?  58.680     ?     ?     ?     ?  ?           1.000  
34  34     ?  48.530     ?     ?     ?     ?  ?           1.000  
35  35     ?  56.270     ?     ?     ?     ?  ?           1.000  
36  36     ?  42.440     ?     ?     ?     ?  ?           1.000  
37  37     ?  17.630     ?     ?     ?     ?  ?           1.000  
38  38     ?  59.570     ?     ?     ?     ?  ?           1.000  
39  39     ?  46.090     ?     ?     ?     ?  ?           1.000  
40  40     ?  19.500     ?     ?     ?     ?  ?           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   1  "H2''"  1  0.61  1.80  
 2   1  "H2''"  2  0.44  2.47  
 3   2  "H5'"   1  0.61  1.80  
 4   2  "H2''"  3  0.52  2.08  
 5   2  "C5'"   2  0.44  2.47  
 6   3  OP2     3  0.52  2.08  
 7   3  "H2''"  4  0.40  2.22  
 8   4  OP2     4  0.40  2.22  
 9   6  N3      5  0.57  2.19  
10   6  "H2'"   5  0.57  2.19  
11  12  N3      6  0.71  2.04  
12  12  "H2'"   6  0.71  2.04  
#
_pdbx_vrpt_instance_intra_plane_outliers.ordinal      1
_pdbx_vrpt_instance_intra_plane_outliers.instance_id  5
_pdbx_vrpt_instance_intra_plane_outliers.type         sidechain
_pdbx_vrpt_instance_intra_plane_outliers.plane_rmsd   0.07
#
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  C8     N7     1.30  1.35     60  0.02  -2.60  0.01  
 2   9  C5     C6     1.40  1.47     49  0.02  -3.41  0.00  
 3   9  C5     C4     1.37  1.43     44  0.03  -2.05  0.00  
 4  13  C1     C15    1.34  1.39  10000  0.02  -3.23  0.00  
 5  13  O4     C4     1.40  1.37  10000  0.02   2.06  0.00  
 6  13  C17    C5     1.42  1.47   1928  0.02  -2.21  0.00  
 7  13  C17    C6     1.36  1.41   1612  0.02  -2.41  0.00  
 8  13  O6     C6     1.41  1.37  10000  0.02   2.04  0.00  
 9  13  O7     C7     1.39  1.44     34  0.02  -2.91  0.01  
10  13  O9     C9     1.49  1.43    467  0.02   3.23  0.00  
11  13  C10    C19    1.48  1.51    158  0.01  -2.38  0.01  
12  13  C18    C11    1.34  1.41   1612  0.02  -3.89  0.00  
13  13  C11    C19    1.36  1.40   1454  0.02  -2.17  0.00  
14  13  C15    C12    1.42  1.48   4297  0.02  -2.74  0.00  
15  13  C18    C12    1.40  1.47   1928  0.02  -2.87  0.00  
16  13  C14    C13    1.55  1.50    996  0.03   2.18  0.00  
17  13  O13    C13    1.25  1.21    996  0.02   2.10  0.00  
18  13  O4     C21    1.48  1.42  10000  0.03   2.06  0.00  
19  13  BR     "C2'"  1.78  1.96    465  0.02  -7.43  0.04  
20  13  "C4'"  "C3'"  1.59  1.53     49  0.01   4.61  0.00  
21  13  "O4'"  "C4'"  1.52  1.43  10000  0.02   4.06  0.00  
22  14  C16    C5     1.42  1.47   1928  0.02  -2.25  0.00  
23  14  C17    C5     1.41  1.47   1928  0.02  -2.48  0.00  
24  14  C17    C6     1.37  1.41   1612  0.02  -2.06  0.00  
25  14  O6     C6     1.45  1.37  10000  0.02   3.84  0.00  
26  14  C8     C7     1.56  1.52    180  0.02   2.34  0.01  
27  14  C8     C9     1.46  1.53     91  0.02  -3.97  0.03  
28  14  O9     C9     1.47  1.43    467  0.02   2.31  0.00  
29  14  C15    C12    1.42  1.48   4297  0.02  -2.70  0.00  
30  14  C18    C12    1.42  1.47   1928  0.02  -2.20  0.00  
31  14  C15    C16    1.36  1.41   2592  0.01  -3.07  0.00  
32  14  BR     "C2'"  1.74  1.96    465  0.02  -9.17  0.08  
33  14  "C4'"  "C3'"  1.51  1.53     49  0.01  -2.01  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  13  O4     C4     C3     113.51  124.37  10000  1.71  -6.34  0.24  
 2  13  O4     C4     C16    128.51  115.85   1438  1.39   9.09  3.68  
 3  13  O5     C5     C17    117.75  121.43   1928  1.62  -2.27  0.00  
 4  13  C1     C15    C12    115.96  119.25   3356  1.63  -2.02  0.01  
 5  13  C6     C17    C5     117.05  120.45    187  1.68  -2.03  0.07  
 6  13  C10    C19    C11    114.48  119.23     30  1.86  -2.56  1.77  
 7  13  C6     C20    C7     115.19  118.59     20  1.57  -2.17  1.35  
 8  13  C19    C20    C7     124.50  120.96     36  1.63   2.18  0.20  
 9  13  O7     "C1'"  "C2'"  102.27  109.09   1868  2.03  -3.36  0.02  
10  13  "C5'"  "C4'"  "C3'"  103.59  110.51     21  1.52  -4.56  3.68  
11  13  "O4'"  "C4'"  "C5'"  118.79  109.67    277  2.22   4.12  2.80  
12  13  "C6'"  "C5'"  "C4'"  117.32  113.07    277  1.85   2.30  0.33  
13  13  "O5'"  "C5'"  "C4'"  119.03  109.52    273  1.79   5.30  4.72  
14  13  "O5'"  "C5'"  "C6'"  111.13  106.70    937  2.16   2.05  0.01  
15  14  O4     C4     C3     115.45  124.37  10000  1.71  -5.21  0.03  
16  14  O4     C4     C16    123.00  115.85   1438  1.39   5.13  0.25  
17  14  O9     C9     C8     115.47  109.41     79  2.26   2.68  1.78  
18  14  C4     C16    C5     118.72  122.21    331  1.38  -2.53  0.35  
19  14  C15    C16    C4     121.45  118.11    489  1.08   3.09  0.20  
20  14  O7     "C1'"  "O5'"  100.42  110.67   7372  2.79  -3.67  0.31  
21  14  "C5'"  "C4'"  "C3'"  114.45  110.51     21  1.52   2.60  0.13  
22  14  "O4'"  "C4'"  "C3'"  116.70  110.22     49  1.80   3.61  3.37  
23  14  "O4'"  "C4'"  "C5'"  119.42  109.67    277  2.22   4.40  3.43  
24  14  "C1'"  "O5'"  "C5'"  117.42  113.67    314  1.72   2.18  0.00  
#
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   9  "O4'"  "C4'"  "C5'"  "O5'"  -97.82  34.34  451  11.87  5.45  1.11  
2   9  "C3'"  "C4'"  "C5'"  "O5'"   20.65  49.06  451  40.94  4.45  0.89  
3  13  "C2'"  "C1'"  O7     C7     127.59  32.96   63  11.65  4.68  4.76  
#
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  0.937  0.095  -0.666  
 2   2  22  0.937  0.096  -0.691  
 3   3  22  0.947  0.076  -1.046  
 4   4  19  0.952  0.093  -0.721  
 5   5  19  0.968  0.077  -0.961  
 6   6  22  0.968  0.086  -0.869  
 7   7  17  0.948  0.107  -0.510  
 8   8  22  0.952  0.084  -0.904  
 9   9  23  0.961  0.081       ?  
10  10  19  0.937  0.096  -0.676  
11  11  19  0.943  0.081  -0.901  
12  12  22  0.925  0.092  -0.762  
13  13  39  0.920  0.103       ?  
14  14  39  0.977  0.078       ?  
15  15   1  0.774  0.237       ?  
16  16   1  0.759  0.222       ?  
17  17   1  0.962  0.087       ?  
18  18   1  0.906  0.080       ?  
19  19   1  0.976  0.055       ?  
20  20   1  0.970  0.089       ?  
21  21   1  0.970  0.130       ?  
22  22   1  0.960  0.111       ?  
23  23   1  0.739  0.268       ?  
24  24   1  0.417  0.231       ?  
25  25   1  0.905  0.099       ?  
26  26   1  0.802  0.106       ?  
27  27   1  0.939  0.093       ?  
28  28   1  0.887  0.108       ?  
29  29   1  0.845  0.199       ?  
30  30   1  0.767  0.364       ?  
31  31   1  0.905  0.156       ?  
32  32   1  0.838  0.257       ?  
33  33   1  0.727  0.178       ?  
34  34   1  0.835  0.117       ?  
35  35   1  0.677  0.216       ?  
36  36   1  0.947  0.077       ?  
37  37   1  0.973  0.067       ?  
38  38   1  0.672  0.177       ?  
39  39   1  0.586  0.165       ?  
40  40   1  0.943  0.157       ?  
#
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  
##
