| Complex structure of MERS-RBD bound with 4C2 antibody |
| This entry was created with PDB-REDO version 8.04. |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 21 21 21 | a: 74.083 Å | b: 110.401 Å | c: 172.981 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 2.41 Å | Reflections | 54953 | Test set | 2784 (5.1%) | ||
| R | 0.2446 | R-free | 0.2891 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.41 Å | Reflections | 54953 | Test set | 2784 (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 | 0.2589 | 0.2541 |
| R-free | 0.2945 | 0.2939 |
| Bond length RMS Z-score | 0.477 | 0.337 |
| Bond angle RMS Z-score | 0.651 | 0.597 |
| Model quality | ||
| Ramachandran plot normality | -1.216 47 | -1.328 44 |
| Rotamer normality | -2.332 52 | -2.408 50 |
| Coarse packing | 0.114 68 | 0.093 67 |
| Fine packing | -0.182 79 | -0.082 81 |
| Bump severity | 0.061 16 | 0.111 9 |
| Hydrogen bond satisfaction | 0.869 21 | 0.858 16 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 12 |
| Side chains flipped | 4 |
| Waters removed | 16 |
| Peptides flipped | 16 |
| Chiralities fixed | 0 |
| Residues fitting density better | 10 |
| Residues fitting density worse | 8 |