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| Structure of CYP51 from the pathogen Candida albicans |
| This entry was created with PDB-REDO version 7.36 using the deposited PDB model |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | P 2 21 21 | a: 91.940 Å | b: 92.510 Å | c: 101.530 Å | α: 90.00° | β: 90.00° | γ: 90.00° |
| Resolution | 2.90 Å | Reflections | 19726 | Test set | 968 (4.9%) | ||
| R | 0.2190 | R-free | 0.2690 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.90 Å | Reflections | 19726 | Test set | 968 (4.9%) | ||
| 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 | 0.2344 | 0.2445 |
| R-free | 0.2800 | 0.2744 |
| Bond length RMS Z-score | 0.401 | 0.437 |
| Bond angle RMS Z-score | 0.731 | 0.738 |
| Model quality | ||
| Ramachandran plot normality | -6.180 2 | -5.539 4 |
| Rotamer normality | -5.597 11 | -5.188 14 |
| Coarse packing | -1.507 6 | -1.277 10 |
| Fine packing | -1.713 23 | -1.262 42 |
| Bump severity | 0.057 17 | 0.019 41 |
| Hydrogen bond satisfaction | 0.821 7 | 0.824 8 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 9 |
| Side chains built | 0 |
| Waters removed | 0 |
| Peptides flipped | 6 |
| Chiralities fixed | 0 |
| Residues fitting density better | 22 |
| Residues fitting density worse | 1 |