Crystal structure of SARS coronavirus main peptidase (with an additional Ala at the N-terminus of each protomer) inhibited by an aza-peptide epoxide in the space group P43212 |
This entry was created with PDB-REDO version 8.13. |
From original header | |||||||
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Spacegroup | P 43 21 2 | a: 70.087 Å | b: 70.087 Å | c: 103.862 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 2.00 Å | Reflections | 18098 | Test set | 923 (5.1%) | ||
R | 0.1964 | R-free | 0.2697 | ||||
According to PDB-REDO | |||||||
Resolution | 2.00 Å | Reflections | 18098 | Test set | 923 (5.1%) | ||
Twin | false | Radiation damage | 73 | ||||
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 | 0.2018 | 0.2050 |
R-free | 0.2770 | 0.2621 |
Bond length RMS Z-score | 1.587 | 0.198 |
Bond angle RMS Z-score | 1.157 | 0.453 |
Model quality | ||
Ramachandran plot normality | -2.314 26 | -1.031 55 |
Rotamer normality | -4.245 16 | -0.873 75 |
Coarse packing | -0.091 45 | -0.122 43 |
Fine packing | -1.180 46 | -0.908 57 |
Bump severity | 0.033 25 | 0.007 65 |
Hydrogen bond satisfaction | 0.894 42 | 0.886 34 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 10 |
Side chains flipped | 0 |
Waters removed | 4 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 0 |