3H3X
Structure of the V74M large subunit mutant of NI-FE hydrogenase in an oxidized state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97623 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.400, 99.200, 182.300 |
| Unit cell angles | 90.00, 92.80, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.700 |
| R-factor | 0.206 |
| Rwork | 0.203 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yqw |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.451 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.051 | 0.288 |
| Number of reflections | 60250 | |
| <I/σ(I)> | 15.18 | 4.31 |
| Completeness [%] | 98.7 | 98.1 |
| Redundancy | 3.42 | 3.07 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | PEG6000, GLYCEROL, pH6.00, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
