Structure of the LecB lectin from Pseudomonas aeruginosa strain PAO1 in complex with lewis x tetrasaccharide |
This entry was created with PDB-REDO version 8.07. |
From original header | |||||||
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Spacegroup | P 1 21 1 | a: 52.603 Å | b: 72.481 Å | c: 72.481 Å | α: 90.00° | β: 114.62° | γ: 90.00° |
Resolution | 1.80 Å | Reflections | 39299 | Test set | 2004 (5.1%) | ||
R | 0.1320 | R-free | 0.1756 | ||||
According to PDB-REDO | |||||||
Resolution | 1.80 Å | Reflections | 39299 | Test set | 2004 (5.1%) | ||
Twin | false | Radiation damage | 81 | ||||
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 | 0.1318 | 0.1388 |
R-free | 0.1770 | 0.1703 |
Bond length RMS Z-score | 1.572 | 0.413 |
Bond angle RMS Z-score | 1.055 | 0.570 |
Model quality | ||
Ramachandran plot normality | 1.776 98 | 2.241 99 |
Rotamer normality | 0.431 94 | 0.845 97 |
Coarse packing | 1.515 93 | 1.585 94 |
Fine packing | 1.862 98 | 1.957 98 |
Bump severity | 0.212 5 | 0.225 5 |
Hydrogen bond satisfaction | 0.919 76 | 0.932 88 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 10 |
Side chains flipped | 2 |
Waters removed | 13 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 0 |