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Structure of BambL, a lectin from Burkholderia ambifaria, complexed with blood group B epitope |
This entry was created with PDB-REDO version 7.32. |
From original header | |||||||
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Spacegroup | P 21 21 21 | a: 47.980 Å | b: 49.140 Å | c: 102.710 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 1.75 Å | Reflections | 24088 | Test set | 1218 (5.1%) | ||
R | 0.2080 | R-free | 0.2660 | ||||
According to PDB-REDO | |||||||
Resolution | 1.75 Å | Reflections | 24088 | Test set | 1218 (5.1%) | Twin | false |
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 | 0.2059 | 0.1878 |
R-free | 0.2598 | 0.2253 |
Bond length RMS Z-score | 0.701 | 0.445 |
Bond angle RMS Z-score | 0.740 | 0.690 |
Model quality | ||
Ramachandran plot normality | -0.928 55 | -0.299 73 |
Rotamer normality | -1.972 58 | -0.271 89 |
Coarse packing | 1.136 95 | 1.194 96 |
Fine packing | -1.875 18 | -1.771 21 |
Bump severity | 0.007 67 | 0.003 82 |
Hydrogen bond satisfaction | 0.884 32 | 0.878 27 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 1 |
Side chains flipped | 0 |
Waters removed | 22 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 1 |
Residues fitting density worse | 0 |