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| Crystal structure of spike protein receptor-binding domain from SARS coronavirus epidemic strain complexed with human-civet chimeric receptor ACE2 |
| This entry was created with PDB-REDO version 7.32. |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 1 21 1 | a: 81.670 Å | b: 119.523 Å | c: 113.532 Å | α: 90.00° | β: 92.50° | γ: 90.00° |
| Resolution | 3.00 Å | Reflections | 41384 | Test set | 2066 (5.0%) | ||
| R | 0.2390 | R-free | 0.2920 | ||||
| According to PDB-REDO | |||||||
| Resolution | 3.00 Å | Reflections | 41384 | Test set | 2066 (5.0%) | ||
| Twin | false | Radiation damage | N/A | ||||
| 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 | 0.2485 | 0.2541 |
| R-free | 0.3047 | 0.2901 |
| Bond length RMS Z-score | 0.525 | 0.384 |
| Bond angle RMS Z-score | 0.680 | 0.671 |
| Model quality | ||
| Ramachandran plot normality | -6.627 2 | -4.767 6 |
| Rotamer normality | -5.467 12 | -5.070 15 |
| Coarse packing | -1.934 3 | -1.443 7 |
| Fine packing | -2.470 6 | -1.943 16 |
| Bump severity | 0.038 24 | 0.123 9 |
| Hydrogen bond satisfaction | 0.795 5 | 0.833 9 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 39 |
| Side chains flipped | 0 |
| Waters removed | 0 |
| Peptides flipped | 35 |
| Chiralities fixed | 0 |
| Residues fitting density better | 26 |
| Residues fitting density worse | 6 |