5JSH
The 3D structure of recombinant [NiFeSe] hydrogenase from Desulfovibrio Vulgaris Hildenborough in the oxidized state at 1.30 Angstrom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-07 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9334 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 106.220, 63.460, 111.080 |
| Unit cell angles | 90.00, 105.15, 90.00 |
Refinement procedure
| Resolution | 51.819 - 1.300 |
| R-factor | 0.1142 |
| Rwork | 0.113 |
| R-free | 0.13540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wpn |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.068 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.000 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.061 | 0.315 |
| Number of reflections | 169426 | |
| <I/σ(I)> | 13.7 | 2.2 |
| Completeness [%] | 96.9 | 70.8 |
| Redundancy | 3.7 | 2 |
| CC(1/2) | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 20% PEG 1500 (w/v) and 0.1 mM Tris-HCl pH 7.6 |
