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Crystal structure of antibody 14A in complex with MUC1 glycopeptide (GlycoS) |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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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 | N/A | ||||
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 | 0.2203 | 0.2344 |
R-free | 0.2726 | 0.2696 |
Bond length RMS Z-score | 0.645 | 0.257 |
Bond angle RMS Z-score | 0.788 | 0.479 |
Model quality | ||
Ramachandran plot normality | -0.680 62 | -0.877 57 |
Rotamer normality | -4.410 21 | -1.455 69 |
Coarse packing | N/A N/A | N/A N/A |
Fine packing | N/A N/A | N/A N/A |
Bump severity | 0.000 96 | 0.000 96 |
Hydrogen bond satisfaction | N/A N/A | N/A N/A |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 22 |
Side chains flipped | 0 |
Waters removed | 0 |
Peptides flipped | 5 |
Chiralities fixed | 0 |
Residues fitting density better | 1 |
Residues fitting density worse | 0 |