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Crystal structure of antibody 14A in complex with MUC1 glycopeptide (GlycoST) |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | P 21 21 21 | a: 42.920 Å | b: 206.848 Å | c: 225.405 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 3.50 Å | Reflections | 26449 | Test set | 1261 (4.8%) | ||
R | 0.1711 | R-free | 0.2190 | ||||
According to PDB-REDO | |||||||
Resolution | 3.50 Å | Reflections | 26449 | Test set | 1261 (4.8%) | ||
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 | 0.1937 | 0.1802 |
R-free | 0.2328 | 0.2184 |
Bond length RMS Z-score | 0.500 | 0.408 |
Bond angle RMS Z-score | 0.633 | 0.626 |
Model quality | ||
Ramachandran plot normality | -1.179 48 | -1.962 30 |
Rotamer normality | -4.170 23 | -3.132 38 |
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 | 0 |
Side chains flipped | 0 |
Waters removed | 0 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 2 |
Residues fitting density worse | 0 |