Crystal Structure of SARS-CoV Spike Receptor-Binding Domain Complexed with Neutralizing Antibody |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | P 1 21 1 | a: 64.693 Å | b: 68.611 Å | c: 80.085 Å | α: 90.00° | β: 98.08° | γ: 90.00° |
Resolution | 2.30 Å | Reflections | 27923 | Test set | 1339 (4.8%) | ||
R | 0.1990 | R-free | 0.2610 | ||||
According to PDB-REDO | |||||||
Resolution | 2.29 Å | Reflections | 27923 | Test set | 1339 (4.8%) | 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 | 0.2010 | 0.1838 |
R-free | 0.2511 | 0.2346 |
Bond length RMS Z-score | 0.562 | 0.424 |
Bond angle RMS Z-score | 0.732 | 0.620 |
Model quality | ||
Ramachandran plot normality | -2.115 27 | -1.266 46 |
Rotamer normality | -2.296 52 | -1.664 65 |
Coarse packing | -0.371 43 | -0.333 44 |
Fine packing | -1.023 52 | -0.861 58 |
Bump severity | 0.097 11 | 0.084 12 |
Hydrogen bond satisfaction | 0.868 20 | 0.888 36 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 7 |
Side chains flipped | 0 |
Waters removed | 53 |
Peptides flipped | 2 |
Chiralities fixed | 0 |
Residues fitting density better | 2 |
Residues fitting density worse | 0 |