| Crystal structure of Middle-East Respiratory Syndrome (MERS) coronavirus neutralizing antibody JC57-14 isolated from a vaccinated rhesus macaque. |
| This entry was created with PDB-REDO version 8.12 using the deposited PDB model version 1.4 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 1 21 1 | a: 83.698 Å | b: 129.804 Å | c: 84.003 Å | α: 90.00° | β: 110.01° | γ: 90.00° |
| Resolution | 1.99 Å | Reflections | 103508 | Test set | 5059 (4.9%) | ||
| R | 0.1760 | R-free | 0.2080 | ||||
| According to PDB-REDO | |||||||
| Resolution | 1.99 Å | Reflections | 103508 | Test set | 5059 (4.9%) | ||
| Twin | false | Radiation damage |
97
Data shows severe radiation damage
|
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| 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 | 0.1879 | 0.1765 |
| R-free | 0.2193 | 0.2114 |
| Bond length RMS Z-score | 0.571 | 0.467 |
| Bond angle RMS Z-score | 0.660 | 0.633 |
| Model quality | ||
| Ramachandran plot normality | 1.191 96 | 0.835 94 |
| Rotamer normality | -0.337 85 | -0.365 84 |
| Coarse packing | 0.602 74 | 0.597 74 |
| Fine packing | 1.243 96 | 1.459 97 |
| Bump severity | 0.022 35 | 0.013 49 |
| Hydrogen bond satisfaction | 0.920 77 | 0.919 76 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 21 |
| Side chains flipped | 4 |
| Waters removed | 144 |
| Peptides flipped | 4 |
| Chiralities fixed | 0 |
| Residues fitting density better | 17 |
| Residues fitting density worse | 0 |