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Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with sialic acid |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | P 65 | a: 127.210 Å | b: 127.210 Å | c: 45.370 Å | α: 90.00° | β: 90.00° | γ: 120.00° |
Resolution | 1.60 Å | Reflections | 55537 | Test set | 2789 (5.0%) | ||
R | 0.1914 | R-free | 0.2069 | ||||
According to PDB-REDO | |||||||
Resolution | 1.60 Å | Reflections | 55537 | Test set | 2789 (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 | 0.1935 | 0.1878 |
R-free | 0.2092 | 0.2013 |
Bond length RMS Z-score | 0.680 | 0.509 |
Bond angle RMS Z-score | 0.518 | 0.651 |
Model quality | ||
Ramachandran plot normality | -1.626 39 | -1.159 51 |
Rotamer normality | -0.002 90 | 0.389 94 |
Coarse packing | N/A N/A | N/A N/A |
Fine packing | N/A N/A | N/A N/A |
Bump severity | 0.000 95 | 0.000 95 |
Hydrogen bond satisfaction | N/A N/A | N/A N/A |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 10 |
Side chains flipped | 0 |
Waters removed | 7 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 1 |
Residues fitting density worse | 0 |