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BEL beta-trefoil complex with T-Antigen disaccharide |
This entry was created with PDB-REDO version 8.03. |
From original header | |||||||
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Spacegroup | P 1 21 1 | a: 66.410 Å | b: 69.960 Å | c: 71.790 Å | α: 90.00° | β: 106.36° | γ: 90.00° |
Resolution | 1.72 Å | Reflections | 64958 | Test set | 3290 (5.1%) | ||
R | 0.1764 | R-free | 0.2055 | ||||
According to PDB-REDO | |||||||
Resolution | 1.72 Å | Reflections | 64958 | Test set | 3290 (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 | 0.1703 | 0.1512 |
R-free | 0.1971 | 0.1814 |
Bond length RMS Z-score | 0.676 | 0.677 |
Bond angle RMS Z-score | 0.628 | 0.715 |
Model quality | ||
Ramachandran plot normality | -2.517 22 | -2.364 24 |
Rotamer normality | 0.706 97 | 1.066 98 |
Coarse packing | 0.503 83 | 0.432 81 |
Fine packing | -1.907 17 | -1.821 19 |
Bump severity | 0.001 92 | 0.001 92 |
Hydrogen bond satisfaction | 0.891 39 | 0.888 36 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 21 |
Side chains flipped | 0 |
Waters removed | 0 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 8 |
Residues fitting density worse | 0 |