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HSA SIGLEC AND UNIQUE DOMAINS IN COMPLEX WITH THE SIALYL T ANTIGEN TRISACCHARIDE |
This entry was created with PDB-REDO version 7.38. |
From original header | |||||||
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Spacegroup | P 21 21 21 | a: 46.645 Å | b: 58.140 Å | c: 75.959 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 1.85 Å | Reflections | 17827 | Test set | 892 (5.0%) | ||
R | 0.1960 | R-free | 0.2180 | ||||
According to PDB-REDO | |||||||
Resolution | 1.84 Å | Reflections | 17827 | Test set | 892 (5.0%) | ||
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 | 0.2053 | 0.2000 |
R-free | 0.2242 | 0.2438 |
Bond length RMS Z-score | 0.623 | 0.538 |
Bond angle RMS Z-score | 0.646 | 0.768 |
Model quality | ||
Ramachandran plot normality | 1.011 94 | 1.090 95 |
Rotamer normality | -1.200 74 | -1.171 74 |
Coarse packing | -0.617 31 | -0.401 41 |
Fine packing | -1.660 25 | -1.316 40 |
Bump severity | 0.009 61 | 0.000 96 |
Hydrogen bond satisfaction | 0.918 75 | 0.902 53 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 1 |
Side chains flipped | 2 |
Waters removed | 51 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 0 |