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BEL beta-trefoil complex with lactose |
This entry was created with PDB-REDO version 7.32. |
From original header | |||||||
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Spacegroup | P 1 21 1 | a: 72.050 Å | b: 39.140 Å | c: 119.390 Å | α: 90.00° | β: 93.16° | γ: 90.00° |
Resolution | 1.40 Å | Reflections | 131746 | Test set | 6648 (5.0%) | ||
R | 0.1890 | R-free | 0.2040 | ||||
According to PDB-REDO | |||||||
Resolution | 1.40 Å | Reflections | 131746 | Test set | 6648 (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 | |
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Crystallographic refinement | ||
R | 0.1796 | 0.1362 |
R-free | 0.1921 | 0.1640 |
Bond length RMS Z-score | 0.424 | 0.587 |
Bond angle RMS Z-score | 0.559 | 0.772 |
Model quality | ||
Ramachandran plot normality | -2.507 22 | -2.282 25 |
Rotamer normality | 1.194 99 | 1.578 99 |
Coarse packing | -0.469 38 | -0.554 34 |
Fine packing | -2.044 13 | -1.841 19 |
Bump severity | 0.000 96 | 0.000 96 |
Hydrogen bond satisfaction | 0.890 38 | 0.903 54 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 24 |
Side chains flipped | 0 |
Waters removed | 0 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 136 |
Residues fitting density worse | 0 |