| Crystal Structure of MERS-CoV S1-NTD bound with G2 Fab |
| This entry was created with PDB-REDO version 8.13 using the deposited PDB model version 2.1 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 1 21 1 | a: 85.989 Å | b: 63.860 Å | c: 186.778 Å | α: 90.00° | β: 90.75° | γ: 90.00° |
| Resolution | 2.30 Å | Reflections | 88786 | Test set | 4349 (4.9%) | ||
| R | 0.1795 | R-free | 0.2125 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.30 Å | Reflections | 88786 | Test set | 4349 (4.9%) | ||
| Twin | false | Radiation damage | 89 | ||||
| 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 | 0.1957 | 0.1772 |
| R-free | 0.2233 | 0.2137 |
| Bond length RMS Z-score | 0.796 | 0.359 |
| Bond angle RMS Z-score | 0.716 | 0.567 |
| Model quality | ||
| Ramachandran plot normality | -0.628 66 | -0.233 77 |
| Rotamer normality | -2.573 40 | -0.758 77 |
| Coarse packing | 0.332 64 | 0.355 65 |
| Fine packing | 0.082 84 | 0.267 87 |
| Bump severity | 0.610 1 | 0.600 1 |
| Hydrogen bond satisfaction | 0.880 29 | 0.877 26 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 15 |
| Side chains flipped | 0 |
| Waters removed | 51 |
| Peptides flipped | 1 |
| Chiralities fixed | 0 |
| Residues fitting density better | 32 |
| Residues fitting density worse | 0 |