| Complex structure of SARS-CoV 3C-like protease with EPDTC |
| This entry was created with PDB-REDO version 8.10 using the deposited PDB model version 1.2 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 1 21 1 | a: 52.150 Å | b: 96.300 Å | c: 67.620 Å | α: 90.00° | β: 103.63° | γ: 90.00° |
| Resolution | 1.95 Å | Reflections | 44320 | Test set | 2225 (5.0%) | ||
| R | 0.1940 | R-free | 0.2480 | ||||
| According to PDB-REDO | |||||||
| Resolution | 1.95 Å | Reflections | 44320 | Test set | 2225 (5.0%) | ||
| Twin | false | Radiation damage | 43 | ||||
| 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 | 0.1928 | 0.1676 |
| R-free | 0.2467 | 0.2225 |
| Bond length RMS Z-score | 0.714 | 0.377 |
| Bond angle RMS Z-score | 1.059 | 0.591 |
| Model quality | ||
| Ramachandran plot normality | -1.906 33 | -0.734 63 |
| Rotamer normality | -2.182 47 | -0.456 83 |
| Coarse packing | 0.101 54 | 0.327 64 |
| Fine packing | -1.997 14 | -1.434 35 |
| Bump severity | 0.025 32 | 0.034 25 |
| Hydrogen bond satisfaction | 0.882 30 | 0.894 42 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 21 |
| Side chains flipped | 0 |
| Waters removed | 85 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 7 |
| Residues fitting density worse | 1 |