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| Putative SDR from Acinetobacter baumannii Crystal Form 2 |
| This entry was created with PDB-REDO version 8.04 using the deposited PDB model version 1.4 |
| From original header | |||||
|---|---|---|---|---|---|
| Spacegroup | P 21 21 21 | a: 87.620Å b: 89.960Å c: 130.529Å | α: 90.00° β: 90.00° γ: 90.00° | ||
| Resolution | 2.00 Å | Reflections | 70232 | Test set | 3658 (5.2%) |
| R | 0.1858 | R-free | 0.2229 | ||
| According to PDB-REDO | |||||
| Resolution | 2.00 Å | Reflections | 70232 | Test set | 3658 (5.2%) |
| Twin | false | Radiation damage | N/A | ||
| PDB-REDO files | |||||
| Re-refined and rebuilt structure | Re-refined (only) structure |
All files
(compressed) |
|||
| Links | |||||
| PDBe | RCSB PDB | Proteopedia | |||
| Original | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.1923 | 0.1820 |
| R-free | 0.2300 | 0.2077 |
| Bond length RMS Z-score | 0.592 | 0.406 |
| Bond angle RMS Z-score | 0.755 | 0.568 |
| Model quality | ||
| Ramachandran plot normality | -0.645 63 | 0.116 82 |
| Rotamer normality | -2.685 45 | -0.728 82 |
| Coarse packing | 2.077 99 | 2.048 99 |
| Fine packing | -0.216 78 | -0.003 82 |
| Bump severity | 0.003 82 | 0.002 87 |
| Hydrogen bond satisfaction | 0.950 97 | 0.946 96 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 14 |
| Side chains built | 0 |
| Waters removed | 7 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 1 |
| Residues fitting density worse | 0 |