This entry is not up to date with the most recent version of PDB-REDO.
Please log in
to request an update.
| Putative short-chain dehydrogenase/reductase (SDR) from Acinetobacter baumannii |
| This entry was created with PDB-REDO version 8.04 using the deposited PDB model version 1.3 |
| From original header | |||||
|---|---|---|---|---|---|
| Spacegroup | P 31 2 1 | a: 89.479Å b: 89.479Å c: 239.469Å | α: 90.00° β: 90.00° γ: 120.00° | ||
| Resolution | 1.90 Å | Reflections | 88312 | Test set | 4504 (5.1%) |
| R | 0.1702 | R-free | 0.1917 | ||
| According to PDB-REDO | |||||
| Resolution | 1.90 Å | Reflections | 88312 | Test set | 4504 (5.1%) |
| 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 | 0.1715 | 0.1605 |
| R-free | 0.1942 | 0.1793 |
| Bond length RMS Z-score | 0.605 | 0.470 |
| Bond angle RMS Z-score | 0.761 | 0.626 |
| Model quality | ||
| Ramachandran plot normality | -0.671 63 | -0.549 66 |
| Rotamer normality | -0.652 83 | 0.240 94 |
| Coarse packing | 1.375 97 | 1.362 97 |
| Fine packing | -0.596 68 | -0.569 69 |
| Bump severity | 0.006 70 | 0.003 82 |
| Hydrogen bond satisfaction | 0.939 93 | 0.940 93 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 21 |
| Side chains built | 0 |
| Waters removed | 6 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 1 |
| Residues fitting density worse | 0 |