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Crystal structure of the LecB lectin from Pseudomonas aeruginosa strain PA7 in complex with lewis a tetrasaccharide |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | P 1 21 1 | a: 52.790 Å | b: 70.370 Å | c: 54.660 Å | α: 90.00° | β: 90.50° | γ: 90.00° |
Resolution | 1.75 Å | Reflections | 40122 | Test set | 1992 (5.0%) | ||
R | 0.1475 | R-free | 0.1834 | ||||
According to PDB-REDO | |||||||
Resolution | 1.75 Å | Reflections | 40122 | Test set | 1992 (5.0%) | ||
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 | 0.1474 | 0.1425 |
R-free | 0.1839 | 0.1791 |
Bond length RMS Z-score | 1.222 | 0.789 |
Bond angle RMS Z-score | 0.881 | 0.748 |
Model quality | ||
Ramachandran plot normality | 1.057 95 | 1.490 97 |
Rotamer normality | 0.846 97 | 0.451 94 |
Coarse packing | N/A N/A | N/A N/A |
Fine packing | N/A N/A | N/A N/A |
Bump severity | 0.000 95 | 0.000 95 |
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 | 4 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 0 |