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 | |||||||
|---|---|---|---|---|---|---|---|
| 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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