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Crystal structure of spike protein receptor-binding domain from a predicted SARS coronavirus human strain complexed with human receptor ACE2 |
This entry was created with PDB-REDO version 7.32. |
From original header | |||||||
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Spacegroup | P 1 21 1 | a: 81.362 Å | b: 118.332 Å | c: 111.937 Å | α: 90.00° | β: 93.06° | γ: 90.00° |
Resolution | 2.90 Å | Reflections | 39951 | Test set | 2003 (5.0%) | ||
R | 0.2260 | R-free | 0.2830 | ||||
According to PDB-REDO | |||||||
Resolution | 2.90 Å | Reflections | 39951 | Test set | 2003 (5.0%) | 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 | 0.2358 | 0.2524 |
R-free | 0.2916 | 0.2884 |
Bond length RMS Z-score | 0.447 | 0.361 |
Bond angle RMS Z-score | 0.633 | 0.660 |
Model quality | ||
Ramachandran plot normality | -6.628 2 | -4.557 7 |
Rotamer normality | -5.664 10 | -4.777 17 |
Coarse packing | -1.804 4 | -1.359 8 |
Fine packing | -2.470 6 | -1.817 20 |
Bump severity | 0.035 26 | 0.298 3 |
Hydrogen bond satisfaction | 0.803 5 | 0.806 6 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 42 |
Side chains flipped | 0 |
Waters removed | 0 |
Peptides flipped | 46 |
Chiralities fixed | 0 |
Residues fitting density better | 18 |
Residues fitting density worse | 14 |