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Structure of the lectin Bambl from Burkholderia ambifaria in complex with blood group H type 1 tetrasaccharide |
This entry was created with PDB-REDO version 7.32. |
From original header | |||||||
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Spacegroup | P 1 21 1 | a: 34.640 Å | b: 47.570 Å | c: 72.940 Å | α: 90.00° | β: 103.19° | γ: 90.00° |
Resolution | 1.60 Å | Reflections | 29075 | Test set | 1457 (5.0%) | ||
R | 0.1600 | R-free | 0.2020 | ||||
According to PDB-REDO | |||||||
Resolution | 1.60 Å | Reflections | 29075 | Test set | 1457 (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 | 0.1571 | 0.1569 |
R-free | 0.2009 | 0.1990 |
Bond length RMS Z-score | 0.681 | 0.613 |
Bond angle RMS Z-score | 0.734 | 0.743 |
Model quality | ||
Ramachandran plot normality | -0.040 79 | 0.064 81 |
Rotamer normality | 0.504 96 | 0.889 98 |
Coarse packing | 1.341 97 | 1.289 97 |
Fine packing | -1.692 24 | -1.610 27 |
Bump severity | 0.006 70 | 0.004 78 |
Hydrogen bond satisfaction | 0.864 19 | 0.866 19 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 2 |
Side chains flipped | 0 |
Waters removed | 14 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 0 |
Residues fitting density worse | 0 |