| Crystal structure of SARS-CoV 3C-like protease with C4Z |
| This entry was created with PDB-REDO version 8.04. |
| 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 |
| 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 | 0.2042 | 0.1700 |
| R-free | 0.2237 | 0.1932 |
| Bond length RMS Z-score | 0.648 | 0.349 |
| Bond angle RMS Z-score | 0.744 | 0.572 |
| Model quality | ||
| Ramachandran plot normality | -2.577 21 | -0.858 57 |
| Rotamer normality | -2.628 46 | -0.237 89 |
| Coarse packing | 0.164 70 | 0.513 83 |
| Fine packing | -1.474 33 | -0.971 54 |
| Bump severity | 0.017 44 | 0.024 35 |
| Hydrogen bond satisfaction | 0.878 27 | 0.889 37 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 6 |
| Side chains flipped | 0 |
| Waters removed | 32 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 27 |
| Residues fitting density worse | 0 |