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| CRYSTAL STRUCTURE OF ANTIBODY 14A IN COMPLEX WITH MUC1 GLYCOPEPTIDE (GLYCOS) |
| This entry was created with PDB-REDO version 7.38. |
| From PDB header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 1 21 1 | a: 46.558 Å | b: 226.620 Å | c: 71.071 Å | α: 90.00° | β: 107.69° | γ: 90.00° |
| Resolution | 2.73 Å | Reflections | 36277 | Test set | 2005 (5.5%) | ||
| R | 0.2090 | R-free | 0.2640 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.73 Å | Reflections | 36277 | Test set | 2005 (5.5%) | 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 | ||||
| PDB | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.2193 | 0.2111 |
| R-free | 0.2706 | 0.2545 |
| Bond length RMS Z-score | 0.360 | 0.478 |
| Bond angle RMS Z-score | 0.692 | 0.749 |
| Model quality | ||
| Ramachandran plot normality | 0.773 60 | 0.759 60 |
| Rotamer normality | 4.406 21 | 2.335 52 |
| Coarse packing | 0.260 74 | 0.359 78 |
| Fine packing | 0.575 91 | 0.627 92 |
| Bump severity | 0.053 18 | 0.024 35 |
| Hydrogen bond satisfaction | 0.889 37 | 0.893 41 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 20 |
| Side chains flipped | 2 |
| Waters removed | 0 |
| Peptides flipped | 7 |
| Chiralities fixed | 0 |
| Residues fitting density better | 5 |
| Residues fitting density worse | 0 |