| Re refinement of 4mwk. |
| This entry was created with PDB-REDO version 8.12 using the deposited PDB model version 1.6 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 1 | a: 26.998 Å | b: 31.807 Å | c: 34.072 Å | α: 89.08° | β: 72.00° | γ: 67.81° |
| Resolution | 0.98 Å | Reflections | 51605 | Test set | 2646 (5.1%) | ||
| R | 0.1237 | R-free | 0.1465 | ||||
| According to PDB-REDO | |||||||
| Resolution | 0.98 Å | Reflections | 51605 | Test set | 2646 (5.1%) | ||
| Twin | false | Radiation damage | 22 | ||||
| PDB-REDO files | |||||||
| Re-refined and rebuilt structure | Re-refined (only) structure |
All files
(compressed) |
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| Links | |||||||
| PDBe | RCSB PDB | 3D bionotes | Proteopedia | ||||
| Original | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.1456 | 0.1324 |
| R-free | 0.1636 | 0.1477 |
| Bond length RMS Z-score | 2.443 | 0.501 |
| Bond angle RMS Z-score | 1.227 | 0.696 |
| Model quality | ||
| Ramachandran plot normality | 1.418 97 | 1.325 97 |
| Rotamer normality | 0.496 95 | 0.700 96 |
| Coarse packing | -0.428 30 | -0.425 30 |
| Fine packing | 1.177 96 | 1.328 96 |
| Bump severity | 0.004 76 | 0.006 68 |
| Hydrogen bond satisfaction | 0.875 25 | 0.878 27 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 2 |
| Side chains built | 0 |
| Waters removed | 3 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 1 |
| Residues fitting density worse | 1 |