The crystal structure of Salmonella enterica sugar-binding protein MalE |
This entry was created with PDB-REDO version 8.08. |
From original header | |||||||
---|---|---|---|---|---|---|---|
Spacegroup | C 1 2 1 | a: 87.714 Å | b: 89.692 Å | c: 64.066 Å | α: 90.00° | β: 114.77° | γ: 90.00° |
Resolution | 1.60 Å | Reflections | 58473 | Test set | 1999 (3.4%) | ||
R | 0.1567 | R-free | 0.1805 | ||||
According to PDB-REDO | |||||||
Resolution | 1.60 Å | Reflections | 58473 | Test set | 1999 (3.4%) | ||
Twin | false | Radiation damage | 36 | ||||
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 | 0.1595 | 0.1486 |
R-free | 0.1837 | 0.1724 |
Bond length RMS Z-score | 1.305 | 0.968 |
Bond angle RMS Z-score | 1.011 | 0.844 |
Model quality | ||
Ramachandran plot normality | -0.207 77 | -0.299 75 |
Rotamer normality | -1.530 61 | -0.432 83 |
Coarse packing | 1.427 92 | 1.435 92 |
Fine packing | -1.224 44 | -1.017 52 |
Bump severity | 0.081 12 | 0.058 15 |
Hydrogen bond satisfaction | 0.896 45 | 0.892 40 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 5 |
Side chains flipped | 0 |
Waters removed | 82 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 22 |
Residues fitting density worse | 0 |