Crystal structure of the substrate binding domain of E.coli DnaK in complex with the designer peptide NRLMLTG |
This entry was created with PDB-REDO version 8.06. |
From original header | |||||||
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Spacegroup | P 21 21 2 | a: 77.611 Å | b: 149.345 Å | c: 149.345 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 1.70 Å | Reflections | 58563 | Test set | 1195 (2.0%) | ||
R | 0.1767 | R-free | 0.2086 | ||||
According to PDB-REDO | |||||||
Resolution | 1.70 Å | Reflections | 58563 | Test set | 1195 (2.0%) | ||
Twin | false | Radiation damage | 31 | ||||
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 | 0.1716 | 0.1689 |
R-free | 0.2007 | 0.1920 |
Bond length RMS Z-score | 1.655 | 0.758 |
Bond angle RMS Z-score | 1.255 | 0.753 |
Model quality | ||
Ramachandran plot normality | 0.578 91 | 1.782 98 |
Rotamer normality | -0.809 76 | 0.879 97 |
Coarse packing | 2.184 98 | 2.179 98 |
Fine packing | 1.122 96 | 1.330 96 |
Bump severity | 0.004 76 | 0.006 68 |
Hydrogen bond satisfaction | 0.977 100 | 0.973 99 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 5 |
Side chains flipped | 0 |
Waters removed | 10 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 0 |