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E. coli F9 pilus adhesin FmlH bound to the Thomsen-Friedenreich (TF) antigen |
This entry was created with PDB-REDO version 7.32. |
From original header | |||||||
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Spacegroup | P 21 21 2 | a: 118.820 Å | b: 51.460 Å | c: 53.740 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 2.20 Å | Reflections | 17285 | Test set | 877 (5.1%) | ||
R | 0.1800 | R-free | 0.2240 | ||||
According to PDB-REDO | |||||||
Resolution | 2.20 Å | Reflections | 17285 | Test set | 877 (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 | 0.1806 | 0.1810 |
R-free | 0.2257 | 0.2230 |
Bond length RMS Z-score | 1.013 | 0.595 |
Bond angle RMS Z-score | 1.019 | 0.784 |
Model quality | ||
Ramachandran plot normality | -1.186 48 | -0.846 58 |
Rotamer normality | -2.200 54 | -1.357 71 |
Coarse packing | -0.500 36 | -0.518 35 |
Fine packing | -0.915 56 | -0.702 64 |
Bump severity | 0.005 74 | 0.000 96 |
Hydrogen bond satisfaction | 0.917 73 | 0.923 80 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 9 |
Side chains flipped | 1 |
Waters removed | 0 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 1 |
Residues fitting density worse | 0 |