| Crystal structure of SARS-CoV 3C-like protease with C4Z |
| This entry was created with PDB-REDO version 8.13 using the deposited PDB model version 1.3 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 1 21 1 | a: 52.270 Å | b: 96.396 Å | c: 67.703 Å | α: 90.00° | β: 103.26° | γ: 90.00° |
| Resolution | 1.95 Å | Reflections | 47592 | Test set | 2000 (4.2%) | ||
| R | 0.2045 | R-free | 0.2320 | ||||
| According to PDB-REDO | |||||||
| Resolution | 1.95 Å | Reflections | 47592 | Test set | 2000 (4.2%) | ||
| Twin | false | Radiation damage | 41 | ||||
| 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 | 0.2052 | 0.1754 |
| R-free | 0.2241 | 0.1976 |
| Bond length RMS Z-score | 0.650 | 0.373 |
| Bond angle RMS Z-score | 0.750 | 0.585 |
| Model quality | ||
| Ramachandran plot normality | -2.569 22 | -0.850 60 |
| Rotamer normality | -2.631 38 | -0.460 83 |
| Coarse packing | 0.164 56 | 0.499 70 |
| Fine packing | -0.909 57 | -0.470 72 |
| Bump severity | 0.017 42 | 0.023 34 |
| Hydrogen bond satisfaction | 0.860 17 | 0.873 24 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 9 |
| Side chains flipped | 0 |
| Waters removed | 39 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 23 |
| Residues fitting density worse | 0 |