| Structure of unbound MERS-CoV spike receptor-binding domain (England1 strain). |
| This entry was created with PDB-REDO version 8.13 using the deposited PDB model version 1.2 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 21 21 21 | a: 46.667 Å | b: 109.887 Å | c: 125.279 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 3.02 Å | Reflections | 11975 | Test set | 609 (5.1%) | ||
| R | 0.2173 | R-free | 0.2589 | ||||
| According to PDB-REDO | |||||||
| Resolution | 3.02 Å | Reflections | 11975 | Test set | 609 (5.1%) | ||
| Twin | false | Radiation damage | 69 | ||||
| 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 | 0.2344 | 0.2102 |
| R-free | 0.2677 | 0.2589 |
| Bond length RMS Z-score | 0.441 | 0.249 |
| Bond angle RMS Z-score | 0.843 | 0.499 |
| Model quality | ||
| Ramachandran plot normality | -1.184 50 | -1.203 50 |
| Rotamer normality | -3.390 26 | -3.353 27 |
| Coarse packing | -0.342 33 | -0.258 37 |
| Fine packing | -1.870 18 | -1.806 20 |
| Bump severity | 0.482 2 | 0.468 2 |
| Hydrogen bond satisfaction | 0.825 8 | 0.832 9 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 6 |
| Side chains flipped | 0 |
| Waters removed | 10 |
| Peptides flipped | 1 |
| Chiralities fixed | 0 |
| Residues fitting density better | 3 |
| Residues fitting density worse | 0 |