| Crystal structure of SARS-CoV 3C-like protease with B4Z |
| This entry was created with PDB-REDO version 8.04. |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 1 21 1 | a: 52.322 Å | b: 97.103 Å | c: 67.405 Å | α: 90.00° | β: 103.17° | γ: 90.00° |
| Resolution | 2.20 Å | Reflections | 33339 | Test set | 2000 (6.0%) | ||
| R | 0.1817 | R-free | 0.2354 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.20 Å | Reflections | 33339 | Test set | 2000 (6.0%) | Twin | false |
| PDB-REDO files | |||||||
| Re-refined and rebuilt structure | Re-refined (only) structure |
All files
(compressed) |
|||||
| Links | |||||||
| PDBe | RCSB PDB | 3D bionotes | Proteopedia | ||||
| Original | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.1837 | 0.1725 |
| R-free | 0.2380 | 0.2131 |
| Bond length RMS Z-score | 0.680 | 0.450 |
| Bond angle RMS Z-score | 0.702 | 0.625 |
| Model quality | ||
| Ramachandran plot normality | -1.983 30 | -0.641 64 |
| Rotamer normality | -1.434 69 | -0.485 86 |
| Coarse packing | 0.312 76 | 0.415 80 |
| Fine packing | -1.173 46 | -0.917 56 |
| Bump severity | 0.008 64 | 0.019 41 |
| Hydrogen bond satisfaction | 0.886 34 | 0.893 41 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 11 |
| Side chains flipped | 0 |
| Waters removed | 20 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 0 |
| Residues fitting density worse | 0 |