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| structure of the receptor binding domain (RBD) of MERS-CoV spike |
| This entry was created with PDB-REDO version 7.32. |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 21 21 21 | a: 46.977 Å | b: 108.473 Å | c: 125.925 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 2.51 Å | Reflections | 22483 | Test set | 1154 (5.1%) | ||
| R | 0.2080 | R-free | 0.2510 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.51 Å | Reflections | 22483 | Test set | 1154 (5.1%) | 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 | 0.2100 | 0.1964 |
| R-free | 0.2544 | 0.2272 |
| Bond length RMS Z-score | 0.273 | 0.353 |
| Bond angle RMS Z-score | 0.469 | 0.586 |
| Model quality | ||
| Ramachandran plot normality | -2.166 27 | -0.953 54 |
| Rotamer normality | -3.159 37 | -1.340 71 |
| Coarse packing | -1.150 12 | -0.858 21 |
| Fine packing | -2.147 11 | -1.717 23 |
| Bump severity | 0.272 4 | 0.229 5 |
| Hydrogen bond satisfaction | 0.838 10 | 0.862 18 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 13 |
| Side chains flipped | 0 |
| Waters removed | 9 |
| Peptides flipped | 1 |
| Chiralities fixed | 0 |
| Residues fitting density better | 6 |
| Residues fitting density worse | 0 |