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| Crystal Structure of SARS Coronavirus Main Proteinase (P43212) |
| This entry was created with PDB-REDO version 8.04 using the deposited PDB model version 1.4 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 43 21 2 | a: 69.675 Å | b: 69.675 Å | c: 100.197 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 2.00 Å | Reflections | 20064 | Test set | 0 (0.0%) | ||
| R | 0.1750 | R-free | 0.2570 | ||||
| According to PDB-REDO | |||||||
| Resolution | 1.90 Å | Reflections | 20064 | Test set |
987 (4.9%)
New test set, PDB-REDO compensated for this
|
||
| Twin | false | Radiation damage | N/A | ||||
| 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 | 0.2483 | 0.1895 |
| R-free |
0.2974
R-free was considered biased, the
estimated unbiased R-free was used
|
0.2460 |
| Bond length RMS Z-score | 1.303 | 0.460 |
| Bond angle RMS Z-score | 0.986 | 0.667 |
| Model quality | ||
| Ramachandran plot normality | -1.579 40 | -1.244 49 |
| Rotamer normality | -2.797 36 | -1.394 64 |
| Coarse packing | N/A N/A | N/A N/A |
| Fine packing | N/A N/A | N/A N/A |
| Bump severity | 0.000 95 | 0.000 95 |
| Hydrogen bond satisfaction | N/A N/A | N/A N/A |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 13 |
| Side chains flipped | 0 |
| Waters removed | 35 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 0 |
| Residues fitting density worse | 0 |