Crystal structure of SARS-CoV 3C-like protease with B4Z |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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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) |
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Links | |||||||
PDBe | RCSB PDB | 3D bionotes | Proteopedia |
Original | PDB-REDO | |
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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 |