PDB-REDO results for job
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The Crystal Structure of a E280A Mutant of the Catalytic Domain of AMSH |
This entry was created with PDB-REDO version 8.13 using the deposited PDB model version 1.3 |
From original header | |||||||
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Spacegroup | P 43 21 2 | a: 53.437 Å | b: 53.437 Å | c: 128.828 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
Resolution | 1.67 Å | Reflections | 22384 | Test set | 1146 (5.1%) | ||
R | 0.1800 | R-free | 0.2050 | ||||
According to PDB-REDO | |||||||
Resolution | 1.67 Å | Reflections | 22384 | Test set | 1146 (5.1%) | ||
Twin | false | Radiation damage | 56 | ||||
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 | 0.1771 | 0.1776 |
R-free | 0.2009 | 0.2098 |
Bond length RMS Z-score | 0.588 | 0.393 |
Bond angle RMS Z-score | 0.812 | 0.606 |
Model quality | ||
Ramachandran plot normality | 0.234 86 | 0.225 86 |
Rotamer normality | -1.273 66 | -0.591 80 |
Coarse packing | 0.521 71 | 0.514 71 |
Fine packing | -0.740 63 | -0.475 72 |
Bump severity | 0.001 90 | 0.002 85 |
Hydrogen bond satisfaction | 0.858 16 | 0.874 24 |
WHAT_CHECK | Report | Report |
Kleywegt-like plot |
Description | Count |
---|---|
Rotamers changed | 5 |
Side chains flipped | 0 |
Waters removed | 76 |
Peptides flipped | 0 |
Chiralities fixed | 0 |
Residues fitting density better | 5 |
Residues fitting density worse | 0 |
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