| 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 | |||||||
|---|---|---|---|---|---|---|---|
| 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 | |
|---|---|---|
| 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 |