5XWH
Structure of FrnE, a novel disulfide oxidoreductase from Deinococcus radiodurans crystallized in the presence of GSH
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 | 2014-10-29 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.979470 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 47.806, 64.109, 86.333 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.822 - 2.000 |
| R-factor | 0.1719 |
| Rwork | 0.169 |
| R-free | 0.22280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5co3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.838 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.810 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.052 | 0.427 |
| Number of reflections | 17317 | |
| <I/σ(I)> | 13 | |
| Completeness [%] | 94.4 | 96.5 |
| Redundancy | 3.4 | 3.4 |
| CC(1/2) | 0.999 | 0.745 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 10% PEG8000, 100mM sodium acetate, pH 5.0 20% glycerol 5mM GSH |
