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BEL beta-trefoil complex with N-acetylgalactosamine |
This entry was created with PDB-REDO version 8.03. |
From original header | |||||||
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Spacegroup | P 1 21 1 | a: 66.510 Å | b: 69.850 Å | c: 71.360 Å | α: 90.00° | β: 106.26° | γ: 90.00° |
Resolution | 1.50 Å | Reflections | 99913 | Test set | 4993 (5.0%) | ||
R | 0.1865 | R-free | 0.2067 | ||||
According to PDB-REDO | |||||||
Resolution | 1.50 Å | Reflections | 99913 | Test set | 4993 (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 | 0.1783 | 0.1609 |
R-free | 0.1955 | 0.1821 |
Bond length RMS Z-score | 0.647 | 0.819 |
Bond angle RMS Z-score | 0.622 | 0.816 |
Model quality | ||
Ramachandran plot normality | -2.244 25 | -2.043 29 |
Rotamer normality | 1.242 99 | 1.070 98 |
Coarse packing | 0.536 84 | 0.433 81 |
Fine packing | -1.574 29 | -1.599 28 |
Bump severity | 0.004 78 | 0.006 70 |
Hydrogen bond satisfaction | 0.900 50 | 0.900 50 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 19 |
Side chains flipped | 0 |
Waters removed | 1 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 13 |
Residues fitting density worse | 0 |