data_1CW8

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  1CW8
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    1CW8
_pdbx_vrpt_summary.PDB_deposition_date         1999-08-26
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2022-02-16
_pdbx_vrpt_summary.report_creation_date        2022-02-08:20:44
_pdbx_vrpt_summary.attempted_validation_steps  mogul,molprobity,validation-pack,coreclust,chemicalshifts,percentiles,writepdf,writexml,writecif
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "HISTONE H3"  
2  non-polymer  "METHYLMALONIC ACID"  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  pdb    
2  nmr  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_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   99.94  158937  ?     ?     
2  2  1  100.00   12864  ?     ?     
3  1  2    1.63  154571  ?     ?     
4  2  2   13.16   11451  ?     ?     
5  1  3  100.00  154315  ?     ?     
6  2  3  100.00   11428  ?     ?     
#
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  5  3  A  1  1  A  100.00  
 4  6  3  A  1  1  A  100.00  
 5  3  2  A  2  1  A  100.00  
 6  4  2  A  2  1  A  100.00  
 7  5  3  A  2  1  A  100.00  
 8  6  3  A  2  1  A  100.00  
 9  3  2  A  3  1  A  100.00  
10  4  2  A  3  1  A  100.00  
11  5  3  A  3  1  A  100.00  
12  6  3  A  3  1  A  100.00  
13  3  2  A  4  1  A    0.03  
14  4  2  A  4  1  A    0.03  
15  5  3  A  4  1  A  100.00  
16  6  3  A  4  1  A  100.00  
17  3  2  A  5  1  A    0.03  
18  4  2  A  5  1  A    0.03  
19  5  3  A  5  1  A  100.00  
20  6  3  A  5  1  A  100.00  
21  3  2  A  6  1  A  100.00  
22  4  2  A  6  1  A  100.00  
23  5  3  A  6  1  A  100.00  
24  6  3  A  6  1  A  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  0.96  1.28    16    17  
 2  1  2  B  A     ?     ?     ?     ?  
 3  2  1  A  A  0.85  1.36    16    17  
 4  2  2  B  A     ?     ?     ?     ?  
 5  3  1  A  A  1.16  1.39    16    17  
 6  3  2  B  A     ?     ?     ?     ?  
 7  4  1  A  A  1.04  1.32    16    17  
 8  4  2  B  A     ?     ?     ?     ?  
 9  5  1  A  A  1.18  1.28    16    17  
10  5  2  B  A     ?     ?     ?     ?  
11  6  1  A  A  1.02  1.35    16    17  
12  6  2  B  A     ?     ?     ?     ?  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers              8.33
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  8.33
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       0.00
_pdbx_vrpt_summary_geometry.clashscore_full_length                     0.00
_pdbx_vrpt_summary_geometry.num_H_reduce                               349
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             96
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 1.33
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            102
_pdbx_vrpt_summary_geometry.angles_RMSZ                                1.04
#
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
 1  1  1  A  1  DAR  A   2  .  ?     
 2  1  1  A  2  DGL  A   3  .  ?     
 3  1  1  A  3  GLY  A   4  .  ?     
 4  1  1  A  4  DAR  A   5  .  ?     
 5  1  1  A  5  DIL  A   6  .  ?     
 6  1  1  A  6  GLY  A   7  .  ?     
 7  1  1  A  7  GLY  A   8  .  ?     
 8  1  1  A  8  CYS  A   9  .  ?     
 9  1  1  A  9  NH2  A  10  .  ?     
10  1  2  B  .  DXX  A   1  .  ?     
11  2  1  A  1  DAR  A   2  .  ?     
12  2  1  A  2  DGL  A   3  .  ?     
13  2  1  A  3  GLY  A   4  .  ?     
14  2  1  A  4  DAR  A   5  .  ?     
15  2  1  A  5  DIL  A   6  .  ?     
16  2  1  A  6  GLY  A   7  .  ?     
17  2  1  A  7  GLY  A   8  .  ?     
18  2  1  A  8  CYS  A   9  .  ?     
19  2  1  A  9  NH2  A  10  .  ?     
20  2  2  B  .  DXX  A   1  .  ?     
21  3  1  A  1  DAR  A   2  .  ?     
22  3  1  A  2  DGL  A   3  .  ?     
23  3  1  A  3  GLY  A   4  .  ?     
24  3  1  A  4  DAR  A   5  .  ?     
25  3  1  A  5  DIL  A   6  .  ?     
26  3  1  A  6  GLY  A   7  .  ?     
27  3  1  A  7  GLY  A   8  .  ?     
28  3  1  A  8  CYS  A   9  .  ?     
29  3  1  A  9  NH2  A  10  .  ?     
30  3  2  B  .  DXX  A   1  .  ?     
31  4  1  A  1  DAR  A   2  .  ?     
32  4  1  A  2  DGL  A   3  .  ?     
33  4  1  A  3  GLY  A   4  .  ?     
34  4  1  A  4  DAR  A   5  .  ?     
35  4  1  A  5  DIL  A   6  .  ?     
36  4  1  A  6  GLY  A   7  .  ?     
37  4  1  A  7  GLY  A   8  .  ?     
38  4  1  A  8  CYS  A   9  .  ?     
39  4  1  A  9  NH2  A  10  .  ?     
40  4  2  B  .  DXX  A   1  .  ?     
41  5  1  A  1  DAR  A   2  .  ?     
42  5  1  A  2  DGL  A   3  .  ?     
43  5  1  A  3  GLY  A   4  .  ?     
44  5  1  A  4  DAR  A   5  .  ?     
45  5  1  A  5  DIL  A   6  .  ?     
46  5  1  A  6  GLY  A   7  .  ?     
47  5  1  A  7  GLY  A   8  .  ?     
48  5  1  A  8  CYS  A   9  .  ?     
49  5  1  A  9  NH2  A  10  .  ?     
50  5  2  B  .  DXX  A   1  .  ?     
51  6  1  A  1  DAR  A   2  .  ?     
52  6  1  A  2  DGL  A   3  .  ?     
53  6  1  A  3  GLY  A   4  .  ?     
54  6  1  A  4  DAR  A   5  .  ?     
55  6  1  A  5  DIL  A   6  .  ?     
56  6  1  A  6  GLY  A   7  .  ?     
57  6  1  A  7  GLY  A   8  .  ?     
58  6  1  A  8  CYS  A   9  .  ?     
59  6  1  A  9  NH2  A  10  .  ?     
60  6  2  B  .  DXX  A   1  .  ?     
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_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
 1   1  ?          ?       ?  ?        12     ?     ?     ?     ?  ?           
 2   2  ?          ?       ?  ?         5     ?     ?     ?     ?  ?           
 3   3  ?       83.3    20.3  Favored   3     3  1.85     2  1.44  molprobity  
 4   4  ?          ?       ?  ?        12     ?     ?     ?     ?  ?           
 5   5  ?          ?       ?  ?        10     ?     ?     ?     ?  ?           
 6   6  ?     -156.9    86.6  Allowed   3     4  1.18     5  0.55  molprobity  
 7   7  ?       88.7   102.8  Allowed   3     4  1.29     5  0.49  molprobity  
 8   8  t     -173.6   114.5  Allowed   5     5  0.88     5  1.32  molprobity  
 9  10  ?          ?       ?  ?         5     2  0.85     1  1.15  mogul       
10  11  ?          ?       ?  ?        12     ?     ?     ?     ?  ?           
11  12  ?          ?       ?  ?         5     ?     ?     ?     ?  ?           
12  13  ?       76.7    20.2  Favored   3     3  1.94     2  1.43  molprobity  
13  14  ?          ?       ?  ?        12     ?     ?     ?     ?  ?           
14  15  ?          ?       ?  ?        10     ?     ?     ?     ?  ?           
15  16  ?      -76.5   -73.7  Allowed   3     4  1.42     5  0.40  molprobity  
16  17  ?      -83.3   103.2  Favored   3     4  1.25     5  0.48  molprobity  
17  18  p     -173.5   122.2  Allowed   5     5  0.89     5  1.11  molprobity  
18  20  ?          ?       ?  ?         5     2  0.85     1  1.30  mogul       
19  21  ?          ?       ?  ?        12     ?     ?     ?     ?  ?           
20  22  ?          ?       ?  ?         5     ?     ?     ?     ?  ?           
21  23  ?       84.4    20.6  Favored   3     3  1.88     2  1.42  molprobity  
22  24  ?          ?       ?  ?        12     ?     ?     ?     ?  ?           
23  25  ?          ?       ?  ?        11     ?     ?     ?     ?  ?           
24  26  ?      -68.6   -68.1  Allowed   3     4  1.55     5  0.30  molprobity  
25  27  ?      -89.4    96.0  Favored   3     4  1.25     5  0.94  molprobity  
26  28  t       75.5   106.2  Allowed   5     5  0.92     5  1.67  molprobity  
27  30  ?          ?       ?  ?         5     2  0.82     1  0.49  mogul       
28  31  ?          ?       ?  ?        12     ?     ?     ?     ?  ?           
29  32  ?          ?       ?  ?         5     ?     ?     ?     ?  ?           
30  33  ?       81.5    14.4  Favored   3     3  1.93     2  1.45  molprobity  
31  34  ?          ?       ?  ?        12     ?     ?     ?     ?  ?           
32  35  ?          ?       ?  ?        10     ?     ?     ?     ?  ?           
33  36  ?      116.4   106.4  Favored   3     4  1.23     5  0.49  molprobity  
34  37  ?      101.3   -81.3  Allowed   3     4  1.24     5  0.81  molprobity  
35  38  p       59.7    94.9  OUTLIER   5     5  0.93     5  1.40  molprobity  
36  40  ?          ?       ?  ?         5     2  0.84     1  1.07  mogul       
37  41  ?          ?       ?  ?        12     ?     ?     ?     ?  ?           
38  42  ?          ?       ?  ?         5     ?     ?     ?     ?  ?           
39  43  ?       82.9    20.1  Favored   3     3  1.90     2  1.38  molprobity  
40  44  ?          ?       ?  ?        12     ?     ?     ?     ?  ?           
41  45  ?          ?       ?  ?        10     ?     ?     ?     ?  ?           
42  46  ?      148.8   -82.7  Allowed   3     4  1.19     5  0.36  molprobity  
43  47  ?     -169.8  -101.1  Allowed   3     4  1.12     5  0.74  molprobity  
44  48  t       75.4   -84.6  OUTLIER   5     5  0.96     5  1.82  molprobity  
45  50  ?          ?       ?  ?         5     2  0.80     1  0.94  mogul       
46  51  ?          ?       ?  ?        12     ?     ?     ?     ?  ?           
47  52  ?          ?       ?  ?         5     ?     ?     ?     ?  ?           
48  53  ?       81.7     9.7  Favored   3     3  1.93     2  1.48  molprobity  
49  54  ?          ?       ?  ?        12     ?     ?     ?     ?  ?           
50  55  ?          ?       ?  ?        10     ?     ?     ?     ?  ?           
51  56  ?      -75.6   -80.9  Allowed   3     4  1.37     5  0.31  molprobity  
52  57  ?      -94.0    87.8  Allowed   3     4  1.24     5  0.72  molprobity  
53  58  m       67.5    89.6  Allowed   5     5  0.95     5  1.44  molprobity  
54  60  ?          ?       ?  ?         5     2  0.83     1  1.41  mogul       
#
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  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
