5CP1
Crystal structure of C239S mutant 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 | 2015-06-23 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 49.091, 66.158, 84.095 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.935 - 1.801 |
| R-factor | 0.1641 |
| Rwork | 0.163 |
| R-free | 0.19520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5co3 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.907 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.940 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.061 | 0.560 |
| Number of reflections | 26030 | |
| <I/σ(I)> | 19 | 2.9 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 4.8 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | PEG 8000, Glycerol, Sodium acetate |
