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CRYSTAL STRUCTURE OF SARS CORONAVIRUS MAIN PROTEINASE (P21212) |
This entry was created with PDB-REDO version 7.38. |
From original header | |||||||
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Spacegroup | P 21 21 2 | a: 108.230 Å | b: 44.557 Å | c: 54.198 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 2.79 Å | Reflections | 6856 | Test set | 961 (14.0%) | ||
R | 0.2080 | R-free | 0.3020 | ||||
According to PDB-REDO | |||||||
Resolution | 2.79 Å | Reflections | 6856 | Test set | 961 (14.0%) | 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 | 0.2211 | 0.2027 |
R-free | 0.3139 | 0.2848 |
Bond length RMS Z-score | 0.719 | 0.379 |
Bond angle RMS Z-score | 0.703 | 0.635 |
Model quality | ||
Ramachandran plot normality | -3.237 14 | -2.520 22 |
Rotamer normality | -3.817 28 | -3.857 27 |
Coarse packing | -1.164 12 | -1.003 16 |
Fine packing | -1.609 27 | -1.303 40 |
Bump severity | 0.005 74 | 0.012 53 |
Hydrogen bond satisfaction | 0.829 9 | 0.846 12 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 11 |
Side chains flipped | 0 |
Waters removed | 12 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 1 |
Residues fitting density worse | 0 |