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The crystal structure of Glycoside Hydrolase BglX inactive mutant from P. aeruginosa in complex with laminaritriose |
This entry was created with PDB-REDO version 7.36. |
From original header | |||||||
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Spacegroup | P 1 | a: 72.049 Å | b: 74.429 Å | c: 82.118 Å | α: 65.63° | β: 73.94° | γ: 69.46° |
Resolution | 2.15 Å | Reflections | 72249 | Test set | 3570 (4.9%) | ||
R | 0.2360 | R-free | 0.2760 | ||||
According to PDB-REDO | |||||||
Resolution | 2.15 Å | Reflections | 72249 | Test set | 3570 (4.9%) | ||
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 | 0.2380 | 0.2299 |
R-free | 0.2777 | 0.2634 |
Bond length RMS Z-score | 0.670 | 0.535 |
Bond angle RMS Z-score | 0.989 | 0.779 |
Model quality | ||
Ramachandran plot normality | -1.200 47 | -0.835 58 |
Rotamer normality | -1.791 62 | -1.412 70 |
Coarse packing | -0.270 48 | -0.264 48 |
Fine packing | -1.379 37 | -1.299 40 |
Bump severity | 0.005 74 | 0.014 49 |
Hydrogen bond satisfaction | 0.888 36 | 0.891 39 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 17 |
Side chains flipped | 0 |
Waters removed | 151 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 0 |