data_7OOO

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  7OOO
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    7OOO
_pdbx_vrpt_summary.PDB_deposition_date         2021-05-28
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-03-15
_pdbx_vrpt_summary.RNA_suiteness               0.77
_pdbx_vrpt_summary.report_creation_date        2023-03-09:15:20
_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      "RNA (5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3')"  
2  polymer      "DNA (5'-D(*CP*TP*(05A)P*TP*CP*TP*TP*TP*G)-3')"  
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  1  
D  2  
E  3  
F  3  
G  4  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  2.57  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         
4  RNAsuiteness_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  97.26  141614     ?     ?  
2  2  1  98.81    4049  2.56  2.60  
3  1  2  24.03  127900     ?     ?  
4  2  2  20.75    3614  2.56  2.60  
5  1  3  36.52  130704     ?     ?  
6  2  3  65.63    3676  2.56  2.60  
7  1  4  91.94    3102     ?     ?  
8  2  4  95.72    1075  2.26  2.90  
#
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    0.31  
4  4  2  B  1  2  B    0.17  
5  3  2  C  1  1  D  100.00  
6  4  2  C  1  1  D  100.00  
7  3  2  D  1  2  E  100.00  
8  4  2  D  1  2  E  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  0.89  0.51  245  381  
2  1  2  B  B  1.04  0.73  172  261  
3  1  1  C  D  0.98  0.50  245  381  
4  1  2  D  E  1.04  0.77  172  261  
#
_pdbx_vrpt_summary_geometry.ordinal          1
_pdbx_vrpt_summary_geometry.clashscore       0.80
_pdbx_vrpt_summary_geometry.num_H_reduce     414
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ   834
_pdbx_vrpt_summary_geometry.bonds_RMSZ       0.62
_pdbx_vrpt_summary_geometry.num_angles_RMSZ  1284
_pdbx_vrpt_summary_geometry.angles_RMSZ      0.98
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 138.152
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            67.713
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         95.085
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.14(2.57A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        4364
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.430
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.318
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.511
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.345
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.911
_pdbx_vrpt_summary_diffraction.twin_fraction             -h,-k,l:0.000
_pdbx_vrpt_summary_diffraction.DCC_R                     0.23
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.25
_pdbx_vrpt_summary_diffraction.EDS_R                     0.24
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.57
_pdbx_vrpt_summary_diffraction.EDS_res_low               31.08
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[96.252,96.252,92.532,-0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.039
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The analyses of the Patterson function reveals a significant off-origin peak that is 44.46 % 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 1.5220e-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         6
_pdbx_vrpt_summary_diffraction.centric_outliers          2
_pdbx_vrpt_summary_diffraction.data_completeness         99.27
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      210
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.79
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     5.56
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.57
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        31.08
_pdbx_vrpt_summary_diffraction.PDB_R                     0.23
_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_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  C    A    1  .  ?        ?     ?     ?     ?  ?     
 2  1  1  A   2  A    A    2  .  ?        ?     ?     ?     ?  ?     
 3  1  1  A   3  A    A    3  .  ?        ?     ?     ?     ?  ?     
 4  1  1  A   4  A    A    4  .  ?        ?     ?     ?     ?  ?     
 5  1  1  A   5  G    A    5  .  ?        ?     ?     ?     ?  ?     
 6  1  1  A   6  A    A    6  .  ?        ?     ?     ?     ?  ?     
 7  1  1  A   7  A    A    7  .  ?        ?     ?     ?     ?  ?     
 8  1  1  A   8  A    A    8  .  ?        ?     ?     ?     ?  ?     
 9  1  1  A   9  A    A    9  .  ?        ?     ?     ?     ?  ?     
10  1  1  A  10  G    A   10  .  ?        ?     ?     ?     ?  ?     
11  1  2  B   1  DC   B   11  .  ?        ?     ?     ?     ?  ?     
12  1  2  B   2  DT   B   12  .  ?        ?     ?     ?     ?  ?     
13  1  2  B   3  05A  B   13  .  ?        ?    12    17     2  Y     
14  1  2  B   4  DT   B   14  .  ?        ?     ?     ?     ?  ?     
15  1  2  B   5  DC   B   15  .  ?        ?     ?     ?     ?  ?     
16  1  2  B   6  DT   B   16  .  ?        ?     ?     ?     ?  ?     
17  1  2  B   7  DT   B   17  .  ?        ?     ?     ?     ?  ?     
18  1  2  B   8  DT   B   18  .  ?        ?     ?     ?     ?  ?     
19  1  2  B   9  DG   B   19  .  ?        ?     ?     ?     ?  ?     
20  1  1  C   1  C    D    1  .  ?        ?     ?     ?     ?  ?     
21  1  1  C   2  A    D    2  .  ?        ?     ?     ?     ?  ?     
22  1  1  C   3  A    D    3  .  ?        ?     ?     ?     ?  ?     
23  1  1  C   4  A    D    4  .  ?        ?     ?     ?     ?  ?     
24  1  1  C   5  G    D    5  .  ?        ?     ?     ?     ?  ?     
25  1  1  C   6  A    D    6  .  ?        ?     ?     ?     ?  ?     
26  1  1  C   7  A    D    7  .  ?        ?     ?     ?     ?  ?     
27  1  1  C   8  A    D    8  .  ?        ?     ?     ?     ?  ?     
28  1  1  C   9  A    D    9  .  ?        ?     ?     ?     ?  ?     
29  1  1  C  10  G    D   10  .  ?        ?     ?     ?     ?  ?     
30  1  2  D   1  DC   E   11  .  ?        ?     ?     ?     ?  ?     
31  1  2  D   2  DT   E   12  .  ?        ?     ?     ?     ?  ?     
32  1  2  D   3  05A  E   13  .  ?        ?    13    15     5  Y     
33  1  2  D   4  DT   E   14  .  ?        ?     ?     ?     ?  ?     
34  1  2  D   5  DC   E   15  .  ?        ?     ?     ?     ?  ?     
35  1  2  D   6  DT   E   16  .  ?        1     ?     ?     ?  ?     
36  1  2  D   7  DT   E   17  .  ?        1     ?     ?     ?  ?     
37  1  2  D   8  DT   E   18  .  ?        ?     ?     ?     ?  ?     
38  1  2  D   9  DG   E   19  .  ?        ?     ?     ?     ?  ?     
39  1  3  E   .  MG   B  101  .  ?        ?     ?     ?     ?  ?     
40  1  3  F   .  MG   D  101  .  ?        ?     ?     ?     ?  ?     
41  1  4  G   .  HOH  E  101  .  ?        ?     ?     ?     ?  ?     
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.RNA_score
_pdbx_vrpt_model_instance_geometry.RNA_suite
_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  0.00  NotAvailable         12   98.140    19  0.60    30  0.51  molprobity  1.000  
 2   2  0.76  Rotameric            11   97.120    25  0.33    39  0.66  molprobity  1.000  
 3   3  0.76  Rotameric            11   93.660    25  0.58    39  0.86  molprobity  1.000  
 4   4  0.80  Rotameric            11   91.460    25  0.42    39  0.66  molprobity  1.000  
 5   5  0.61  Rotameric            11   88.980    26  0.38    41  1.03  molprobity  1.000  
 6   6  0.00  Triaged/NotBinned    11   89.010    25  0.53    39  1.06  molprobity  1.000  
 7   7  0.72  Rotameric            11   83.890    25  0.45    39  0.87  molprobity  1.000  
 8   8  0.81  Rotameric            11   79.600    25  0.69    39  1.05  molprobity  1.000  
 9   9  0.91  Rotameric            11   80.740    25  0.49    39  0.68  molprobity  1.000  
10  10  0.94  Rotameric            12   82.250    25  0.56    37  1.16  molprobity  1.000  
11  11     ?  ?                    12   91.510    18  0.84    28  0.74  molprobity  1.000  
12  12     ?  ?                    12   94.020    21  0.29    30  0.33  molprobity  1.000  
13  13     ?  ?                     ?   84.260    44  1.59    60  2.08  mogul       1.000  
14  14     ?  ?                    12   77.220    22  0.87    34  1.22  molprobity  1.000  
15  15     ?  ?                    11   78.300    21  0.63    32  0.66  molprobity  1.000  
16  16     ?  ?                    12   80.960    22  0.67    34  1.29  molprobity  1.000  
17  17     ?  ?                    12   81.920    22  0.79    34  1.22  molprobity  1.000  
18  18     ?  ?                    12   87.460    22  0.87    34  1.25  molprobity  1.000  
19  19     ?  ?                    12   98.080    24  0.72    35  1.06  molprobity  1.000  
20  20  0.00  NotAvailable         12  102.380    19  0.36    30  0.78  molprobity  1.000  
21  21  0.87  Rotameric            11  100.290    25  0.50    39  0.78  molprobity  1.000  
22  22  0.77  Rotameric            11   95.640    25  0.55    39  1.43  molprobity  1.000  
23  23  0.33  Rotameric            11   90.780    25  0.39    39  0.67  molprobity  1.000  
24  24  0.58  Rotameric            11   92.450    26  0.53    41  0.98  molprobity  1.000  
25  25  0.00  Triaged/NotBinned    11   94.340    25  0.55    39  1.20  molprobity  1.000  
26  26  0.75  Rotameric            11   92.510    25  0.56    39  0.82  molprobity  1.000  
27  27  0.82  Rotameric            11   86.880    25  0.45    39  0.99  molprobity  1.000  
28  28  0.92  Rotameric            11   84.310    25  0.60    39  0.96  molprobity  1.000  
29  29  0.91  Rotameric            12   81.880    25  0.42    37  0.93  molprobity  1.000  
30  30     ?  ?                    12   77.130    18  0.52    28  0.67  molprobity  1.000  
31  31     ?  ?                    12   82.870    21  0.66    30  1.31  molprobity  1.000  
32  32     ?  ?                     ?   89.430    44  1.55    60  2.04  mogul       1.000  
33  33     ?  ?                    12   89.850    22  0.72    34  1.24  molprobity  1.000  
34  34     ?  ?                    11   92.420    21  1.01    32  0.73  molprobity  1.000  
35  35     ?  ?                    12   88.300    22  0.66    34  1.17  molprobity  1.000  
36  36     ?  ?                    12   83.790    22  1.04    34  1.22  molprobity  1.000  
37  37     ?  ?                    12   85.500    22  0.39    34  0.61  molprobity  1.000  
38  38     ?  ?                    12   93.670    24  0.84    35  1.04  molprobity  1.000  
39  39     ?  ?                     ?   85.990     ?     ?     ?     ?  ?           0.440  
40  40     ?  ?                     ?   98.140     ?     ?     ?     ?  ?           1.000  
41  41     ?  ?                     ?   86.870     ?     ?     ?     ?  ?           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  35  "H2'"  1  0.48  2.49  
2  36  C6     1  0.48  2.49  
#
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  13  C2      N3      1.33  1.38  2449  0.02  -2.55  0.00  
 2  13  C21     N31     1.33  1.38  2449  0.02  -2.52  0.00  
 3  13  "C4'"   "C3'"   1.48  1.53    46  0.01  -4.06  0.02  
 4  13  C41     N31     1.33  1.38  3597  0.02  -3.12  0.00  
 5  13  "O4'"   "C4'"   1.42  1.45   165  0.01  -2.17  0.00  
 6  13  C8      N3      1.32  1.38  3597  0.02  -3.20  0.00  
 7  13  C61     C51     1.38  1.34   855  0.02   2.07  0.00  
 8  13  C6      C5      1.38  1.34   855  0.02   2.26  0.00  
 9  13  C6      N1      1.34  1.38   917  0.02  -2.33  0.00  
10  13  C61     N11     1.33  1.38   917  0.02  -2.44  0.00  
11  13  "C4'1"  "C3'1"  1.49  1.54    52  0.02  -2.39  0.00  
12  13  "O4'1"  "C4'1"  1.42  1.45   165  0.01  -2.25  0.00  
13  32  C2      N1      1.41  1.38   963  0.02   2.01  0.00  
14  32  C2      N3      1.33  1.38  2449  0.02  -2.37  0.00  
15  32  C21     N31     1.33  1.38  2449  0.02  -2.49  0.00  
16  32  "C4'"   "C3'"   1.49  1.53    46  0.01  -3.44  0.02  
17  32  C41     N31     1.32  1.38  3597  0.02  -3.17  0.00  
18  32  "O4'"   "C4'"   1.42  1.45   165  0.01  -2.04  0.00  
19  32  C8      N3      1.33  1.38  3597  0.02  -3.12  0.00  
20  32  C61     C51     1.38  1.34   855  0.02   2.18  0.00  
21  32  C6      C5      1.38  1.34   855  0.02   2.29  0.00  
22  32  C6      N1      1.34  1.38   917  0.02  -2.27  0.00  
23  32  C61     N11     1.34  1.38   917  0.02  -2.38  0.00  
24  32  "C4'1"  "C3'1"  1.49  1.54    52  0.02  -2.31  0.00  
25  32  "O4'1"  "C4'1"  1.42  1.45   165  0.01  -2.31  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  N3      C2      N1      121.22  114.89   961  1.33   4.77  0.72  
 2  13  O2      C2      N3      117.19  121.50  2451  1.86  -2.31  0.03  
 3  13  N31     C21     N11     121.50  114.89   961  1.33   4.98  1.00  
 4  13  O21     C21     N11     120.08  122.79   963  1.33  -2.03  0.03  
 5  13  "C3'1"  C11     C1      107.46  113.98   143  2.49  -2.62  1.22  
 6  13  C51     C41     N31     118.82  115.31   629  0.85   4.12  0.04  
 7  13  O41     C41     C51     120.70  124.90   632  1.16  -3.62  0.22  
 8  13  "O4'"   "C4'"   "C5'"   115.60  108.97    48  1.77   3.74  3.09  
 9  13  C5      C8      N3      118.50  115.31   629  0.85   3.74  0.04  
10  13  O4      C8      C5      120.94  124.90   632  1.16  -3.42  0.45  
11  13  C5A     C51     C41     121.17  118.77   632  1.10   2.19  0.08  
12  13  C5      C6      N1      120.37  123.34   431  1.03  -2.89  0.04  
13  13  C51     C61     N11     119.84  123.34   431  1.03  -3.40  0.02  
14  13  "C1'"   N1      C2      122.21  117.57   332  1.81   2.56  0.05  
15  13  C8      N3      C2      121.77  127.35  1185  1.30  -4.31  0.01  
16  13  C41     N31     C21     121.01  127.35  1185  1.30  -4.90  0.36  
17  13  "O2'"   "C2'1"  "C3'1"  101.19  103.67    32  1.09  -2.29  0.25  
18  32  N3      C2      N1      121.30  114.89   961  1.33   4.83  0.80  
19  32  O2      C2      N3      117.52  121.50  2451  1.86  -2.14  0.00  
20  32  N31     C21     N11     121.38  114.89   961  1.33   4.89  0.88  
21  32  C51     C41     N31     118.84  115.31   629  0.85   4.13  0.06  
22  32  O41     C41     C51     120.62  124.90   632  1.16  -3.70  0.13  
23  32  "O4'"   "C4'"   "C5'"   114.67  108.97    48  1.77   3.22  2.16  
24  32  C5      C8      N3      118.81  115.31   629  0.85   4.09  0.02  
25  32  O4      C8      C5      120.78  124.90   632  1.16  -3.55  0.30  
26  32  C5A     C51     C41     120.98  118.77   632  1.10   2.01  0.11  
27  32  C5      C6      N1      120.14  123.34   431  1.03  -3.11  0.08  
28  32  C51     C61     N11     120.06  123.34   431  1.03  -3.19  0.00  
29  32  "C1'"   N1      C2      121.34  117.57   332  1.81   2.08  0.00  
30  32  C8      N3      C2      121.35  127.35  1185  1.30  -4.64  0.28  
31  32  C41     N31     C21     121.23  127.35  1185  1.30  -4.73  0.39  
32  32  "O2'"   "C2'1"  "C3'1"  100.63  103.67    32  1.09  -2.80  0.80  
#
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  13  C1     C11    "C3'1"  "C2'1"   72.08  86.40  145  21.37   8.95  0.69  
2  13  C1     C11    "C3'1"  "C4'1"  175.06  92.00  145  20.55  24.62  0.00  
3  32  C1     C11    "C3'1"  "C2'1"   69.11  89.33  145  21.52   5.98  0.69  
4  32  C1     C11    "C3'1"  "C4'1"  171.61  88.54  145  20.55  21.16  0.00  
5  32  C7     "C4'"  "C5'"   "N5'"   -89.39  48.30   72  26.50  15.59  0.00  
6  32  "C3'"  "C4'"  "C5'"   "N5'"   152.61  63.08   27  34.27  16.68  0.00  
7  32  "O4'"  "C4'"  "C5'"   "N5'"    36.03  49.46   41  47.47  11.65  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  17  0.899  0.271   1.841  
 2   2  22  0.905  0.208   0.669  
 3   3  22  0.905  0.171  -0.036  
 4   4  22  0.853  0.203   0.573  
 5   5  23  0.929  0.213   0.877  
 6   6  22  0.925  0.193   0.383  
 7   7  22  0.952  0.175   0.040  
 8   8  22  0.944  0.194   0.402  
 9   9  22  0.950  0.186   0.250  
10  10  23  0.970  0.210   0.816  
11  11  16  0.932  0.149  -0.224  
12  12  20  0.938  0.166  -0.075  
13  13  43  0.942  0.183       ?  
14  14  20  0.952  0.176   0.066  
15  15  19  0.959  0.210   0.782  
16  16  20  0.960  0.233   0.871  
17  17  20  0.947  0.221   0.702  
18  18  20  0.940  0.315   2.030  
19  19  22  0.872  0.282   2.151  
20  20  17  0.848  0.267   1.767  
21  21  22  0.918  0.170  -0.055  
22  22  22  0.928  0.164  -0.170  
23  23  22  0.914  0.179   0.116  
24  24  23  0.933  0.243   1.491  
25  25  22  0.942  0.188   0.288  
26  26  22  0.876  0.178   0.097  
27  27  22  0.911  0.151  -0.417  
28  28  22  0.937  0.149  -0.455  
29  29  23  0.941  0.228   1.184  
30  30  16  0.946  0.202   0.650  
31  31  20  0.932  0.200   0.405  
32  32  43  0.899  0.172       ?  
33  33  20  0.889  0.178   0.095  
34  34  19  0.910  0.205   0.700  
35  35  20  0.949  0.193   0.306  
36  36  20  0.955  0.225   0.758  
37  37  20  0.918  0.270   1.394  
38  38  22  0.881  0.220   1.060  
39  39   1  0.925  0.329       ?  
40  40   1  0.823  0.332       ?  
41  41   1  0.814  1.208       ?  
#
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        "1.8.4, CSD as541be (2020)"                                           Y  
3  eds          2.32.1                                                                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  
##
