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Crystal structures exploring the origins of the broader specificity of escherichia coli heat-labile enterotoxin compared to cholera toxin |
This entry was created with PDB-REDO version 7.32. |
From original header | |||||||
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Spacegroup | P 1 | a: 53.420 Å | b: 61.060 Å | c: 100.830 Å | α: 94.57° | β: 95.24° | γ: 114.10° |
Resolution | 1.81 Å | Reflections | 92969 | Test set | 4790 (5.2%) | ||
R | 0.1950 | R-free | 0.2190 | ||||
According to PDB-REDO | |||||||
Resolution | 1.81 Å | Reflections | 92969 | Test set | 4790 (5.2%) | ||
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 | 0.1970 | 0.1922 |
R-free | 0.2172 | 0.2133 |
Bond length RMS Z-score | 0.570 | 0.318 |
Bond angle RMS Z-score | 0.609 | 0.559 |
Model quality | ||
Ramachandran plot normality | 0.050 81 | 0.718 91 |
Rotamer normality | -1.145 75 | -0.604 84 |
Coarse packing | 1.351 97 | 1.283 97 |
Fine packing | 0.599 91 | 0.578 91 |
Bump severity | 0.000 96 | 0.000 96 |
Hydrogen bond satisfaction | 0.941 94 | 0.938 92 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 8 |
Side chains flipped | 0 |
Waters removed | 13 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 6 |
Residues fitting density worse | 0 |