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| Crystal structure of potent neutralizing antibody m336 in complex with MERS Co-V RBD |
| This entry was created with PDB-REDO version 7.32. |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 21 21 21 | a: 47.795 Å | b: 146.879 Å | c: 200.508 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 2.45 Å | Reflections | 48826 | Test set | 2480 (5.1%) | ||
| R | 0.1980 | R-free | 0.2490 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.45 Å | Reflections | 48826 | Test set | 2480 (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 | 0.2187 | 0.1995 |
| R-free | 0.2674 | 0.2377 |
| Bond length RMS Z-score | 0.164 | 0.369 |
| Bond angle RMS Z-score | 0.337 | 0.629 |
| Model quality | ||
| Ramachandran plot normality | -1.762 34 | -0.746 60 |
| Rotamer normality | -0.009 92 | -1.834 61 |
| Coarse packing | -0.486 37 | -0.205 51 |
| Fine packing | -0.701 64 | -0.260 77 |
| Bump severity | 0.177 6 | 0.159 7 |
| Hydrogen bond satisfaction | 0.855 15 | 0.885 33 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 19 |
| Side chains flipped | 4 |
| Waters removed | 21 |
| Peptides flipped | 3 |
| Chiralities fixed | 0 |
| Residues fitting density better | 17 |
| Residues fitting density worse | 0 |