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 | |||||||
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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 | 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 | |
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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 |