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Crystal structure of the 4-FLUORO RSL lectin in complex with Lewis x tetrasaccharide |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | F 2 3 | a: 130.465 Å | b: 130.465 Å | c: 130.465 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 1.35 Å | Reflections | 40182 | Test set | 2052 (5.1%) | ||
R | 0.1265 | R-free | 0.1557 | ||||
According to PDB-REDO | |||||||
Resolution | 1.35 Å | Reflections | 40182 | Test set | 2052 (5.1%) | ||
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 | 0.1288 | 0.1526 |
R-free | 0.1569 | 0.1743 |
Bond length RMS Z-score | 1.247 | 0.653 |
Bond angle RMS Z-score | 0.962 | 0.790 |
Model quality | ||
Ramachandran plot normality | 0.638 92 | 0.508 90 |
Rotamer normality | 1.919 100 | 1.385 99 |
Coarse packing | N/A N/A | N/A N/A |
Fine packing | N/A N/A | N/A N/A |
Bump severity | 0.201 5 | 0.202 5 |
Hydrogen bond satisfaction | N/A N/A | N/A N/A |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 4 |
Side chains flipped | 0 |
Waters removed | 22 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 1 |