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Salmonella typhi PltB Homopentamer with Neu5Ac-alpha-2-3-Gal-beta-1-4-GlcNAc Glycans |
This entry was created with PDB-REDO version 7.32. |
From original header | |||||||
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Spacegroup | P 21 21 21 | a: 68.706 Å | b: 97.745 Å | c: 105.209 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 1.80 Å | Reflections | 65770 | Test set | 2002 (3.0%) | ||
R | 0.1690 | R-free | 0.1930 | ||||
According to PDB-REDO | |||||||
Resolution | 1.80 Å | Reflections | 65770 | Test set | 2002 (3.0%) | ||
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 | 0.1703 | 0.1548 |
R-free | 0.1932 | 0.1754 |
Bond length RMS Z-score | 0.348 | 0.546 |
Bond angle RMS Z-score | 0.648 | 0.737 |
Model quality | ||
Ramachandran plot normality | -0.545 66 | 0.067 82 |
Rotamer normality | -0.065 91 | 0.801 97 |
Coarse packing | 0.924 93 | 0.881 92 |
Fine packing | -1.451 34 | -1.448 34 |
Bump severity | 0.006 70 | 0.001 92 |
Hydrogen bond satisfaction | 0.894 43 | 0.894 43 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 12 |
Side chains flipped | 0 |
Waters removed | 2 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 7 |
Residues fitting density worse | 0 |