5COH
Crystal structure of a novel disulfide oxidoreductase from Deinococcus radiodurans crystallized in presence of beta-mercaptoethanol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-12-23 |
| Detector | OXFORD TITAN CCD |
| Wavelength(s) | 1.54056 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 47.856, 62.350, 86.666 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.970 - 1.801 |
| R-factor | 0.1763 |
| Rwork | 0.174 |
| R-free | 0.21760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cnw |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.877 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1682)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.770 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.073 | 0.551 |
| Number of reflections | 24630 | |
| <I/σ(I)> | 15.9 | 1.9 |
| Completeness [%] | 99.6 | 98.2 |
| Redundancy | 4.9 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | PEG 8000, Glycerol, Sodium acetate |
