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| Crystal structure of SARS-CoV 3C-like protease in apo form |
| This entry was created with PDB-REDO version 8.04 using the deposited PDB model version 1.1 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 1 21 1 | a: 52.434 Å | b: 96.741 Å | c: 67.719 Å | α: 90.00° | β: 102.73° | γ: 90.00° |
| Resolution | 2.20 Å | Reflections | 33478 | Test set | 2000 (6.0%) | ||
| R | 0.1891 | R-free | 0.2306 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.20 Å | Reflections | 33478 | Test set | 2000 (6.0%) | ||
| Twin | false | Radiation damage | N/A | ||||
| 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 | 0.1893 | 0.1787 |
| R-free | 0.2271 | 0.2057 |
| Bond length RMS Z-score | 0.527 | 0.322 |
| Bond angle RMS Z-score | 0.616 | 0.536 |
| Model quality | ||
| Ramachandran plot normality | -1.756 34 | -0.740 61 |
| Rotamer normality | -1.707 64 | -0.299 89 |
| Coarse packing | 0.066 65 | 0.169 70 |
| Fine packing | -1.132 47 | -1.018 52 |
| Bump severity | 0.006 70 | 0.030 29 |
| Hydrogen bond satisfaction | 0.885 33 | 0.891 39 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 14 |
| Side chains built | 0 |
| Waters removed | 11 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 0 |
| Residues fitting density worse | 0 |