| Crystal structure of antibody 14A in complex with MUC1 glycopeptide(GlycoS) |
| This entry was created with PDB-REDO version 8.13 using the deposited PDB model version 1.2 |
| From original 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 | 0.2094 | R-free | 0.2635 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.73 Å | Reflections | 36277 | Test set | 2005 (5.5%) | ||
| Twin | false | Radiation damage | 78 | ||||
| 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 | 0.2197 | 0.1919 |
| R-free | 0.2705 | 0.2541 |
| Bond length RMS Z-score | 0.649 | 0.572 |
| Bond angle RMS Z-score | 0.792 | 0.734 |
| Model quality | ||
| Ramachandran plot normality | -0.680 64 | -0.609 66 |
| Rotamer normality | -4.410 14 | -2.739 37 |
| Coarse packing | 0.558 72 | 0.711 77 |
| Fine packing | 0.550 91 | 0.709 93 |
| Bump severity | 0.053 17 | 0.048 18 |
| Hydrogen bond satisfaction | 0.885 33 | 0.898 47 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 17 |
| Side chains flipped | 0 |
| Waters removed | 0 |
| Peptides flipped | 4 |
| Chiralities fixed | 0 |
| Residues fitting density better | 8 |
| Residues fitting density worse | 0 |