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Hsa Siglec and Unique domains in complex with Sialyl Lewis C |
This entry was created with PDB-REDO version 8.04. |
From original header | |||||||
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Spacegroup | P 21 21 21 | a: 46.635 Å | b: 58.173 Å | c: 75.973 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 1.33 Å | Reflections | 69570 | Test set | 3486 (5.0%) | ||
R | 0.1911 | R-free | 0.2160 | ||||
According to PDB-REDO | |||||||
Resolution | 1.05 Å | Reflections | 69570 | Test set | 3486 (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 | 0.3138 | 0.2498 |
R-free | 0.3487 R-free was considered biased, the estimated unbiased R-free was used | 0.2738 |
Bond length RMS Z-score | 10.416 | 5.449 |
Bond angle RMS Z-score | 0.962 | 1.064 |
Model quality | ||
Ramachandran plot normality | 0.946 94 | 1.107 95 |
Rotamer normality | 0.008 92 | -0.227 89 |
Coarse packing | -0.169 53 | -0.069 58 |
Fine packing | -1.615 27 | -1.240 43 |
Bump severity | 0.001 92 | 0.578 1 |
Hydrogen bond satisfaction | 0.918 75 | 0.894 43 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 4 |
Side chains flipped | 2 |
Waters removed | 56 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 5 |
Residues fitting density worse | 72 |