5CNW
Crystal structure of a novel disulfide oxidoreductase from Deinococcus radiodurans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
| Synchrotron site | RRCAT INDUS-2 |
| Beamline | PX-BL21 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-01 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 47.805, 63.032, 87.298 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.420 - 1.650 |
| R-factor | 0.1716 |
| Rwork | 0.170 |
| R-free | 0.19780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gl5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.919 |
| Data reduction software | Aimless |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.230 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.041 | 0.523 |
| Number of reflections | 32145 | |
| <I/σ(I)> | 17.2 | 1.9 |
| Completeness [%] | 99.2 | 93.6 |
| Redundancy | 3.6 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | PEG 8000, Glycerol, Sodium acetate |
