This entry is not up to date with the most recent version of PDB-REDO.
Please log in
to request an update.
Structure of the LecB lectin from Pseudomonas aeruginosa strain PA14 in complex with lewis a |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
---|---|---|---|---|---|---|---|
Spacegroup | P 1 21 1 | a: 52.976 Å | b: 63.772 Å | c: 64.513 Å | α: 90.00° | β: 91.25° | γ: 90.00° |
Resolution | 1.50 Å | Reflections | 66314 | Test set | 3384 (5.1%) | ||
R | 0.1306 | R-free | 0.1549 | ||||
According to PDB-REDO | |||||||
Resolution | 1.50 Å | Reflections | 66314 | Test set | 3384 (5.1%) | ||
Twin | false | Radiation damage | N/A | ||||
PDB-REDO files | |||||||
Re-refined and rebuilt structure | Re-refined (only) structure |
All files
(compressed) |
|||||
Links | |||||||
PDBe | RCSB PDB | 3D bionotes | Proteopedia |
Original | PDB-REDO | |
---|---|---|
Crystallographic refinement | ||
R | 0.1301 | 0.1245 |
R-free | 0.1546 | 0.1456 |
Bond length RMS Z-score | 1.501 | 0.762 |
Bond angle RMS Z-score | 1.061 | 0.887 |
Model quality | ||
Ramachandran plot normality | 1.594 98 | 1.768 98 |
Rotamer normality | 0.260 93 | 0.302 93 |
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 | 15 |
Side chains flipped | 2 |
Waters removed | 51 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 1 |
Residues fitting density worse | 0 |