His 62 mutant of the lectin binding domain of lectinolysin complexed with Lewis y |
This entry was created with PDB-REDO version 8.08. |
From original header | |||||||
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Spacegroup | P 43 21 2 | a: 67.097 Å | b: 67.097 Å | c: 99.432 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 1.60 Å | Reflections | 30495 | Test set | 1536 (5.0%) | ||
R | 0.1684 | R-free | 0.1902 | ||||
According to PDB-REDO | |||||||
Resolution | 1.60 Å | Reflections | 30495 | Test set | 1536 (5.0%) | ||
Twin | false | Radiation damage | 55 | ||||
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 | 0.1626 | 0.1279 |
R-free | 0.1762 | 0.1463 |
Bond length RMS Z-score | 2.100 | 0.741 |
Bond angle RMS Z-score | 1.478 | 0.707 |
Model quality | ||
Ramachandran plot normality | 0.561 91 | 0.892 94 |
Rotamer normality | 0.567 95 | 0.713 96 |
Coarse packing | 1.030 86 | 0.960 84 |
Fine packing | -0.915 57 | -0.658 66 |
Bump severity | 0.275 4 | 0.216 5 |
Hydrogen bond satisfaction | 0.884 32 | 0.920 77 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 4 |
Side chains flipped | 0 |
Waters removed | 8 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 30 |
Residues fitting density worse | 0 |