| Crystal structure of Middle-East Respiratory Syndrome (MERS) coronavirus neutralizing antibody JC57-14 isolated from a vaccinated rhesus macaque in complex with MERS Receptor Binding Domain |
| This entry was created with PDB-REDO version 8.13 using the deposited PDB model version 1.4 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | C 2 2 21 | a: 81.580 Å | b: 148.070 Å | c: 259.000 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 3.32 Å | Reflections | 19098 | Test set | 972 (5.1%) | ||
| R | 0.2320 | R-free | 0.2670 | ||||
| According to PDB-REDO | |||||||
| Resolution | 3.32 Å | Reflections | 19098 | Test set | 972 (5.1%) | ||
| Twin | false | Radiation damage | 71 | ||||
| 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 | 0.2589 | 0.2116 |
| R-free | 0.2897 | 0.2702 |
| Bond length RMS Z-score | 0.454 | 0.310 |
| Bond angle RMS Z-score | 0.599 | 0.550 |
| Model quality | ||
| Ramachandran plot normality | -2.188 28 | -2.605 22 |
| Rotamer normality | -2.644 38 | -3.934 19 |
| Coarse packing | -0.815 16 | -0.462 28 |
| Fine packing | -1.203 45 | -0.772 62 |
| Bump severity | 0.049 18 | 0.012 51 |
| Hydrogen bond satisfaction | 0.820 8 | 0.834 10 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 16 |
| Side chains flipped | 0 |
| Waters removed | 0 |
| Peptides flipped | 0 |
| Chiralities fixed | 0 |
| Residues fitting density better | 29 |
| Residues fitting density worse | 1 |