6RU9
THE 3D STRUCTURE OF [NIFESE] HYDROGENASE G491A VARIANT FROM DESULFOVIBRIO VULGARIS HILDENBOROUGH AT 1.36 ANGSTROM RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-25 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.445, 98.664, 63.885 |
| Unit cell angles | 90.00, 105.36, 90.00 |
Refinement procedure
| Resolution | 49.332 - 1.355 |
| R-factor | 0.145 |
| Rwork | 0.144 |
| R-free | 0.16280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jsh |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.600 | 1.510 |
| High resolution limit [Å] | 1.355 | 1.355 |
| Number of reflections | 112189 | 5610 |
| <I/σ(I)> | 10.9 | |
| Completeness [%] | 71.9 | |
| Redundancy | 2.9 | |
| CC(1/2) | 0.996 | 0.613 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 20% PEG 1500 (w/v) and 0.1 mM Tris-HCl, |
