data_8FHZ

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  8FHZ
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    8FHZ
_pdbx_vrpt_summary.PDB_deposition_date         2022-12-15
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-10-25
_pdbx_vrpt_summary.report_creation_date        2023-10-16:04:02
_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      "Lettuce DNA aptamer"  
2  non-polymer  "POTASSIUM ION"  
3  non-polymer  "MAGNESIUM ION"  
4  non-polymer  (5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one  
5  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  2  
D  3  
E  3  
F  3  
G  3  
H  4  
I  5  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  2.6  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  15.75  141614     ?     ?  
2  2  1  30.90    3518  2.60  2.60  
3  1  2  66.49  127900     ?     ?  
4  2  2  61.73    3104  2.60  2.60  
5  1  3  27.11  130704     ?     ?  
6  2  3  51.83    3163  2.60  2.60  
#
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  66.49  
2  4  2  A  1  1  A  61.73  
#
_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      1.06
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       1.02
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1226
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1895
#
_pdbx_vrpt_summary_geometry.ordinal          1
_pdbx_vrpt_summary_geometry.clashscore       14.63
_pdbx_vrpt_summary_geometry.num_H_reduce     592
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ   1226
_pdbx_vrpt_summary_geometry.bonds_RMSZ       1.02
_pdbx_vrpt_summary_geometry.num_angles_RMSZ  1895
_pdbx_vrpt_summary_geometry.angles_RMSZ      1.06
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 88.037
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            47.205
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         60.928
_pdbx_vrpt_summary_diffraction.I_over_sigma              0.77(2.02A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        8780
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.458
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.267
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.492
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.326
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.961
_pdbx_vrpt_summary_diffraction.DCC_R                     0.21
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.26
_pdbx_vrpt_summary_diffraction.EDS_R                     0.25
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.01
_pdbx_vrpt_summary_diffraction.EDS_res_low               59.57
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[60.896,67.845,47.931,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.338
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 11.76% 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         8
_pdbx_vrpt_summary_diffraction.centric_outliers          7
_pdbx_vrpt_summary_diffraction.data_completeness         91.90
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      878
_pdbx_vrpt_summary_diffraction.percent_free_reflections  10.00
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     1.89
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.60
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        59.57
_pdbx_vrpt_summary_diffraction.PDB_R                     0.22
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.27
#
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_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  DC   A    1  .  ?        ?     ?     ?     ?     ?  ?     
 2  1  1  A   2  DT   A    2  .  ?        ?     ?     ?     ?     ?  ?     
 3  1  1  A   3  DT   A    3  .  ?        ?     ?     ?     ?     ?  ?     
 4  1  1  A   4  DA   A    4  .  ?        ?     ?     ?     ?     ?  ?     
 5  1  1  A   5  DG   A    5  .  ?        ?     ?     ?     ?     ?  ?     
 6  1  1  A   6  DT   A    6  .  ?        ?     ?     ?     ?     ?  ?     
 7  1  1  A   7  DA   A    7  .  ?        ?     1     ?     ?     ?  ?     
 8  1  1  A   8  DG   A    8  .  ?        ?     ?     ?     ?     ?  ?     
 9  1  1  A   9  DG   A    9  .  ?        ?     2     ?     ?     ?  ?     
10  1  1  A  10  DG   A   10  .  ?        ?     ?     ?     ?     ?  ?     
11  1  1  A  11  DA   A   11  .  ?        ?     1     ?     ?     ?  ?     
12  1  1  A  12  DT   A   12  .  ?        ?     1     ?     ?     ?  ?     
13  1  1  A  13  DG   A   13  .  ?        1     1     ?     ?     ?  ?     
14  1  1  A  14  DA   A   14  .  ?        ?     1     ?     ?     ?  ?     
15  1  1  A  15  DT   A   15  .  ?        ?     2     ?     ?     ?  ?     
16  1  1  A  16  DG   A   16  .  ?        ?     1     ?     ?     ?  ?     
17  1  1  A  17  DC   A   17  .  ?        ?     1     ?     ?     ?  ?     
18  1  1  A  18  DG   A   18  .  ?        ?     1     ?     ?     ?  ?     
19  1  1  A  19  DG   A   19  .  ?        ?     ?     ?     ?     ?  ?     
20  1  1  A  20  DC   A   20  .  ?        ?     3     ?     ?     ?  ?     
21  1  1  A  21  DA   A   21  .  ?        ?     2     ?     ?     ?  ?     
22  1  1  A  22  DG   A   22  .  ?        ?     ?     ?     ?     ?  ?     
23  1  1  A  23  DT   A   23  .  ?        ?     1     ?     ?     ?  ?     
24  1  1  A  24  DG   A   24  .  ?        ?     1     ?     ?     ?  ?     
25  1  1  A  25  DG   A   25  .  ?        ?     ?     ?     ?     ?  ?     
26  1  1  A  26  DG   A   26  .  ?        ?     1     ?     ?     ?  ?     
27  1  1  A  27  DC   A   27  .  ?        ?     2     ?     ?     ?  ?     
28  1  1  A  28  DT   A   28  .  ?        ?     1     ?     ?     ?  ?     
29  1  1  A  29  DT   A   29  .  ?        ?     ?     ?     ?     ?  ?     
30  1  1  A  30  DC   A   30  .  ?        ?     ?     ?     ?     ?  ?     
31  1  1  A  31  DG   A   31  .  ?        ?     ?     ?     ?     ?  ?     
32  1  1  A  32  DC   A   32  .  ?        ?     ?     ?     ?     ?  ?     
33  1  1  A  33  DA   A   33  .  ?        ?     3     ?     ?     ?  ?     
34  1  1  A  34  DG   A   34  .  ?        ?     1     ?     ?     ?  ?     
35  1  1  A  35  DT   A   35  .  ?        ?     ?     ?     ?     ?  ?     
36  1  1  A  36  DT   A   36  .  ?        ?     ?     ?     ?     ?  ?     
37  1  1  A  37  DC   A   37  .  ?        ?     ?     ?     ?     ?  ?     
38  1  1  A  38  DC   A   38  .  ?        ?     ?     ?     ?     ?  ?     
39  1  1  A  39  DT   A   39  .  ?        ?     ?     ?     ?     ?  ?     
40  1  1  A  40  DG   A   40  .  ?        ?     1     ?     ?     ?  ?     
41  1  1  A  41  DC   A   41  .  ?        ?     1     ?     ?     ?  ?     
42  1  1  A  42  DG   A   42  .  ?        ?     ?     ?     ?     ?  ?     
43  1  1  A  43  DA   A   43  .  ?        ?     ?     ?     ?     ?  ?     
44  1  1  A  44  DG   A   44  .  ?        ?     ?     ?     ?     ?  ?     
45  1  1  A  45  DG   A   45  .  ?        ?     2     ?     ?     ?  ?     
46  1  1  A  46  DG   A   46  .  ?        ?     1     ?     ?     ?  ?     
47  1  1  A  47  DG   A   47  .  ?        ?     3     ?     ?     ?  ?     
48  1  1  A  48  DA   A   48  .  ?        ?     1     ?     ?     ?  ?     
49  1  1  A  49  DC   A   49  .  ?        ?     4     ?     ?     ?  ?     
50  1  1  A  50  DT   A   50  .  ?        ?     4     ?     ?     ?  ?     
51  1  1  A  51  DA   A   51  .  ?        ?     ?     ?     ?     ?  ?     
52  1  1  A  52  DA   A   52  .  ?        ?     1     ?     ?     ?  ?     
53  1  1  A  53  DG   A   53  .  ?        ?     1     ?     ?     ?  ?     
54  1  2  B   .  K    A  101  .  ?        ?     ?     ?     ?     ?  ?     
55  1  2  C   .  K    A  102  .  ?        ?     ?     ?     ?     ?  ?     
56  1  3  D   .  MG   A  103  .  ?        ?     ?     ?     ?     ?  ?     
57  1  3  E   .  MG   A  104  .  ?        ?     ?     ?     ?     ?  ?     
58  1  3  F   .  MG   A  105  .  ?        ?     ?     ?     ?     ?  ?     
59  1  3  G   .  MG   A  106  .  ?        ?     ?     ?     ?     ?  ?     
60  1  4  H   .  747  A  107  .  ?        ?     1    12    16     5  Y     
61  1  5  I   .  HOH  A  201  .  ?        ?     1     ?     ?     ?  ?     
62  1  5  I   .  HOH  A  202  .  ?        ?     ?     ?     ?     ?  ?     
63  1  5  I   .  HOH  A  203  .  ?        ?     ?     ?     ?     ?  ?     
64  1  5  I   .  HOH  A  204  .  ?        ?     ?     ?     ?     ?  ?     
65  1  5  I   .  HOH  A  205  .  ?        ?     ?     ?     ?     ?  ?     
66  1  5  I   .  HOH  A  206  .  ?        ?     ?     ?     ?     ?  ?     
67  1  5  I   .  HOH  A  207  .  ?        ?     ?     ?     ?     ?  ?     
68  1  5  I   .  HOH  A  208  .  ?        ?     ?     ?     ?     ?  ?     
69  1  5  I   .  HOH  A  209  .  ?        ?     ?     ?     ?     ?  ?     
70  1  5  I   .  HOH  A  210  .  ?        ?     ?     ?     ?     ?  ?     
71  1  5  I   .  HOH  A  211  .  ?        ?     ?     ?     ?     ?  ?     
72  1  5  I   .  HOH  A  212  .  ?        ?     ?     ?     ?     ?  ?     
73  1  5  I   .  HOH  A  213  .  ?        ?     ?     ?     ?     ?  ?     
74  1  5  I   .  HOH  A  214  .  ?        ?     ?     ?     ?     ?  ?     
75  1  5  I   .  HOH  A  215  .  ?        ?     ?     ?     ?     ?  ?     
76  1  5  I   .  HOH  A  216  .  ?        ?     ?     ?     ?     ?  ?     
77  1  5  I   .  HOH  A  217  .  ?        ?     ?     ?     ?     ?  ?     
78  1  5  I   .  HOH  A  218  .  ?        ?     ?     ?     ?     ?  ?     
#
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   96.950    18  0.60    28  0.82  molprobity  1.000  
 2   2    12   89.340    22  0.69    34  1.22  molprobity  1.000  
 3   3    12   85.290    22  0.69    34  1.23  molprobity  1.000  
 4   4    11   79.350    24  0.58    37  0.81  molprobity  1.000  
 5   5    11   69.420    25  0.79    39  0.90  molprobity  1.000  
 6   6    12   62.700    22  0.90    34  1.24  molprobity  1.000  
 7   7    11   56.270    24  1.47    37  1.12  molprobity  1.000  
 8   8    11   52.660    25  1.62    39  0.82  molprobity  1.000  
 9   9    11   52.570    25  1.64    39  1.74  molprobity  1.000  
10  10    11   54.780    25  1.34    39  1.04  molprobity  1.000  
11  11    11   54.920    24  0.79    37  1.21  molprobity  1.000  
12  12    12   54.280    22  1.30    34  1.10  molprobity  1.000  
13  13    11   52.150    25  1.38    39  1.40  molprobity  1.000  
14  14    11   57.470    24  0.81    37  0.68  molprobity  1.000  
15  15    12   59.250    22  0.92    34  1.41  molprobity  1.000  
16  16    11   61.200    25  1.00    39  0.76  molprobity  1.000  
17  17    11   61.160    21  1.04    32  1.38  molprobity  1.000  
18  18    11   51.770    25  1.25    39  1.31  molprobity  1.000  
19  19    11   51.670    25  1.06    39  1.08  molprobity  1.000  
20  20    11   73.070    21  0.73    32  0.73  molprobity  1.000  
21  21    11   72.400    24  1.05    37  0.75  molprobity  1.000  
22  22    11   71.310    25  0.97    39  0.86  molprobity  1.000  
23  23    12   67.860    22  1.17    34  1.23  molprobity  1.000  
24  24    11   47.410    25  1.31    39  1.15  molprobity  1.000  
25  25    11   46.300    25  1.28    39  1.21  molprobity  1.000  
26  26    11   56.600    25  0.92    39  0.82  molprobity  1.000  
27  27    11   68.980    21  1.10    32  1.05  molprobity  1.000  
28  28    12   76.300    22  0.94    34  1.29  molprobity  1.000  
29  29    12   75.560    22  0.98    34  1.24  molprobity  1.000  
30  30    11   87.860    21  0.79    32  0.66  molprobity  1.000  
31  31    11   87.920    25  0.68    39  0.74  molprobity  1.000  
32  32    11   97.650    21  0.56    32  0.79  molprobity  1.000  
33  33    11   92.000    24  0.67    37  0.85  molprobity  1.000  
34  34    11   88.950    25  0.96    39  0.97  molprobity  1.000  
35  35    12   97.940    22  1.16    34  1.75  molprobity  1.000  
36  36    12  117.940    22  0.85    34  1.25  molprobity  1.000  
37  37    11  124.170    21  1.41    32  0.66  molprobity  1.000  
38  38     6  132.650    12  1.06    18  0.66  molprobity  1.000  
39  39    12  106.850    22  0.86    34  1.20  molprobity  1.000  
40  40    11   89.270    25  1.00    39  1.01  molprobity  1.000  
41  41    11   80.190    21  1.16    32  0.80  molprobity  1.000  
42  42    11   66.760    25  0.74    39  0.97  molprobity  1.000  
43  43    11   54.720    24  1.00    37  0.73  molprobity  1.000  
44  44    11   54.490    25  0.72    39  1.04  molprobity  1.000  
45  45    11   54.900    25  1.04    39  1.08  molprobity  1.000  
46  46    11   64.800    25  1.15    39  0.69  molprobity  1.000  
47  47    11   67.270    25  1.03    39  1.13  molprobity  1.000  
48  48    11   68.180    24  0.85    37  0.87  molprobity  1.000  
49  49    11   74.890    21  0.96    32  1.46  molprobity  1.000  
50  50    12   78.200    22  0.73    34  1.25  molprobity  1.000  
51  51    11   76.980    24  1.04    37  0.70  molprobity  1.000  
52  52    11   75.450    24  0.81    37  0.82  molprobity  1.000  
53  53    12   87.850    24  0.57    35  0.75  molprobity  1.000  
54  54     ?   40.770     ?     ?     ?     ?  ?           1.000  
55  55     ?   41.660     ?     ?     ?     ?  ?           1.000  
56  56     ?   57.570     ?     ?     ?     ?  ?           1.000  
57  57     ?   80.400     ?     ?     ?     ?  ?           1.000  
58  58     ?   75.860     ?     ?     ?     ?  ?           1.000  
59  59     ?   75.710     ?     ?     ?     ?  ?           1.000  
60  60     ?   60.410    21  4.90    28  3.49  mogul       1.000  
61  61     ?   58.320     ?     ?     ?     ?  ?           1.000  
62  62     ?   56.650     ?     ?     ?     ?  ?           1.000  
63  63     ?   70.420     ?     ?     ?     ?  ?           1.000  
64  64     ?   60.850     ?     ?     ?     ?  ?           1.000  
65  65     ?   64.160     ?     ?     ?     ?  ?           1.000  
66  66     ?   69.180     ?     ?     ?     ?  ?           1.000  
67  67     ?   60.280     ?     ?     ?     ?  ?           1.000  
68  68     ?   41.760     ?     ?     ?     ?  ?           1.000  
69  69     ?   56.490     ?     ?     ?     ?  ?           1.000  
70  70     ?   43.230     ?     ?     ?     ?  ?           1.000  
71  71     ?   59.350     ?     ?     ?     ?  ?           1.000  
72  72     ?   48.410     ?     ?     ?     ?  ?           1.000  
73  73     ?   62.010     ?     ?     ?     ?  ?           1.000  
74  74     ?   64.990     ?     ?     ?     ?  ?           1.000  
75  75     ?   66.820     ?     ?     ?     ?  ?           1.000  
76  76     ?   68.280     ?     ?     ?     ?  ?           1.000  
77  77     ?   64.990     ?     ?     ?     ?  ?           1.000  
78  78     ?   60.630     ?     ?     ?     ?  ?           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   7  C2       1  0.46  2.76  
 2   9  "H5''"   2  0.47  2.30  
 3   9  N3       2  0.47  2.30  
 4  11  N6       3  0.73  2.18  
 5  12  "H2'"    4  0.41  2.20  
 6  13  "O4'"    4  0.41  2.20  
 7  14  C4       5  0.47  2.49  
 8  15  "H2'"    6  0.50  2.45  
 9  15  H71      5  0.47  2.49  
10  16  C8       6  0.50  2.45  
11  17  "H2''"   7  0.50  1.93  
12  18  "H5''"   7  0.50  1.93  
13  20  OP1      8  0.67  2.12  
14  20  "H2''"   9  0.51  1.91  
15  20  "H2'"   10  0.42  2.54  
16  21  "H5'"    9  0.51  1.91  
17  21  C5      10  0.42  2.54  
18  23  "H4'"   11  0.55  2.05  
19  24  "O5'"   11  0.55  2.05  
20  26  "H2'"   12  0.48  2.48  
21  27  "H2'"   13  0.57  2.40  
22  27  C6      12  0.48  2.48  
23  28  C6      13  0.57  2.40  
24  33  OP2     14  0.45  2.00  
25  33  H8      14  0.45  2.00  
26  33  "H2''"  15  0.42  2.55  
27  34  C8      15  0.42  2.55  
28  40  "H2''"  16  0.48  2.49  
29  41  C6      16  0.48  2.49  
30  45  "H2'"   17  0.40  2.36  
31  45  N3      17  0.40  2.36  
32  46  "H2''"  18  0.41  1.84  
33  47  "H2'"   19  0.59  2.38  
34  47  N1       1  0.46  2.76  
35  47  H8      18  0.41  1.84  
36  48  C8      19  0.59  2.38  
37  49  "H2''"  20  0.65  1.96  
38  49  "H2''"  21  0.47  2.44  
39  49  "H2'"   22  0.55  1.88  
40  49  "H2'"   23  0.48  2.43  
41  50  "O5'"   20  0.65  1.96  
42  50  H72     22  0.55  1.88  
43  50  C7      23  0.48  2.43  
44  50  "C5'"   21  0.47  2.44  
45  52  "H2''"  24  0.81  1.62  
46  53  "H5''"  24  0.81  1.62  
47  60  O1       3  0.73  2.18  
48  61  O        8  0.67  2.12  
#
_pdbx_vrpt_instance_intra_angle_outliers.ordinal      1
_pdbx_vrpt_instance_intra_angle_outliers.instance_id  13
_pdbx_vrpt_instance_intra_angle_outliers.atom_1       "O4'"
_pdbx_vrpt_instance_intra_angle_outliers.atom_2       "C4'"
_pdbx_vrpt_instance_intra_angle_outliers.atom_3       "C3'"
_pdbx_vrpt_instance_intra_angle_outliers.obs          102.358
_pdbx_vrpt_instance_intra_angle_outliers.mean         104.500
_pdbx_vrpt_instance_intra_angle_outliers.stdev        0.400
_pdbx_vrpt_instance_intra_angle_outliers.Z            -5.36
#
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  60  O1   C1   1.43  1.37  10000  0.02   2.86  0.00  
 2  60  C1   C    1.42  1.39     69  0.01   2.81  0.00  
 3  60  C4   C6   1.53  1.46   6374  0.02   3.48  0.00  
 4  60  C5   C    1.42  1.37   7433  0.02   2.71  0.00  
 5  60  C6   C7   1.30  1.35    242  0.01  -5.87  0.01  
 6  60  C7   C10  1.51  1.48    170  0.01   3.15  0.00  
 7  60  C7   N13  1.45  1.38   4446  0.02   3.21  0.00  
 8  60  C10  N15  1.44  1.39    450  0.02   2.40  0.00  
 9  60  C12  N13  1.46  1.33    485  0.02   7.58  0.01  
10  60  C12  N15  1.51  1.37     28  0.01  11.13  0.11  
11  60  C17  C12  1.59  1.45     29  0.01  14.49  0.11  
12  60  O19  N18  1.45  1.40    688  0.02   2.59  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  60  F1   C2   C1   123.10  117.13    69  0.74   8.05  4.52  
 2  60  C3   C2   C1   120.65  123.79    36  0.78  -4.01  1.57  
 3  60  C    C1   C2   120.67  116.68   108  1.42   2.81  0.44  
 4  60  C3   C4   C6   108.53  120.81  1098  3.61  -3.40  4.81  
 5  60  C5   C4   C6   129.83  120.81  1098  3.61   2.50  1.68  
 6  60  C4   C5   C    116.68  119.25    57  0.80  -3.22  0.60  
 7  60  C5   C    C1   120.08  123.79    36  0.78  -4.74  2.15  
 8  60  F    C    C1   114.69  117.13    69  0.74  -3.29  0.32  
 9  60  F    C    C5   125.23  118.61  7433  1.99   3.33  0.01  
10  60  C4   C6   C7   127.15  129.94   183  1.23  -2.28  0.38  
11  60  C6   C7   N13  125.41  128.83   224  1.39  -2.46  1.08  
12  60  C10  C7   N13  110.98  108.93   170  0.70   2.92  0.01  
13  60  O14  C10  C7   125.69  130.96   170  0.56  -9.39  3.22  
14  60  C7   C10  N15  105.61  103.39    86  0.46   4.83  0.31  
15  60  N15  C12  N13  109.04  112.14    21  1.03  -3.03  1.68  
16  60  O19  N18  C17  120.83  111.30   155  2.08   4.59  4.73  
#
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  60  C4   C6   C7   C10  -160.63   15.23  164  11.00   9.99  0.61  
2  60  C4   C6   C7   N13    19.46   16.34  220  16.38   2.63  0.45  
3  60  N13  C12  C17  N18    71.41   95.57   41  12.14  60.19  0.00  
4  60  N15  C12  C17  N18  -106.88   74.29   42  23.91  14.68  0.00  
5  60  C12  C17  N18  O19     0.49  167.05   67  34.48   0.63  2.99  
#
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  16  0.848  0.183   0.021  
 2   2  20  0.902  0.125  -0.806  
 3   3  20  0.896  0.164  -0.246  
 4   4  21  0.871  0.187   0.169  
 5   5  22  0.803  0.190   0.282  
 6   6  20  0.857  0.161  -0.289  
 7   7  21  0.859  0.166  -0.154  
 8   8  22  0.888  0.150  -0.390  
 9   9  22  0.904  0.144  -0.491  
10  10  22  0.900  0.150  -0.390  
11  11  21  0.932  0.144  -0.493  
12  12  20  0.919  0.163  -0.260  
13  13  22  0.900  0.137  -0.608  
14  14  21  0.946  0.147  -0.447  
15  15  20  0.872  0.147  -0.490  
16  16  22  0.883  0.142  -0.524  
17  17  19  0.890  0.149  -0.492  
18  18  22  0.878  0.163  -0.171  
19  19  22  0.866  0.171  -0.037  
20  20  19  0.918  0.122  -0.900  
21  21  21  0.925  0.144  -0.493  
22  22  22  0.893  0.143  -0.508  
23  23  20  0.909  0.171  -0.145  
24  24  22  0.919  0.133  -0.676  
25  25  22  0.939  0.109  -1.079  
26  26  22  0.914  0.169  -0.071  
27  27  19  0.873  0.163  -0.281  
28  28  20  0.899  0.149  -0.461  
29  29  20  0.870  0.142  -0.562  
30  30  19  0.842  0.191   0.142  
31  31  22  0.882  0.159  -0.239  
32  32  19  0.856  0.199   0.263  
33  33  21  0.825  0.207   0.478  
34  34  22  0.886  0.161  -0.205  
35  35  20  0.899  0.165  -0.231  
36  36  20  0.846  0.234   0.760  
37  37  19  0.524  0.436   3.843  
38  38  11  0.540  0.272   1.366  
39  39  20  0.742  0.212   0.444  
40  40  22  0.874  0.162  -0.188  
41  41  19  0.851  0.185   0.051  
42  42  22  0.845  0.227   0.904  
43  43  21  0.911  0.129  -0.724  
44  44  22  0.906  0.151  -0.373  
45  45  22  0.923  0.138  -0.592  
46  46  22  0.890  0.200   0.450  
47  47  22  0.822  0.156  -0.289  
48  48  21  0.896  0.158  -0.277  
49  49  19  0.804  0.210   0.429  
50  50  20  0.773  0.214   0.473  
51  51  21  0.736  0.233   0.878  
52  52  21  0.878  0.185   0.139  
53  53  22  0.899  0.163  -0.171  
54  54   1  0.953  0.155       ?  
55  55   1  0.901  0.097       ?  
56  56   1  0.719  0.067       ?  
57  57   1  0.841  0.138       ?  
58  58   1  0.937  0.044       ?  
59  59   1  0.757  0.119       ?  
60  60  20  0.839  0.250       ?  
61  61   1  0.851  0.350       ?  
62  62   1  0.871  0.127       ?  
63  63   1  0.749  0.167       ?  
64  64   1  0.915  0.135       ?  
65  65   1  0.824  0.163       ?  
66  66   1  0.697  0.680       ?  
67  67   1  0.879  0.142       ?  
68  68   1  0.632  0.475       ?  
69  69   1  0.586  0.262       ?  
70  70   1  0.718  0.223       ?  
71  71   1  0.938  0.264       ?  
72  72   1  0.678  0.441       ?  
73  73   1  0.942  0.209       ?  
74  74   1  0.549  0.304       ?  
75  75   1  0.704  0.230       ?  
76  76   1  0.953  0.105       ?  
77  77   1  0.701  0.538       ?  
78  78   1  0.641  0.442       ?  
#
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  
##
