8POX
Crystal Structure of the C19G variant of the membrane-bound [NiFe]-Hydrogenase from Cupriavidus necator in the H2-reduced state at 1.6 A Resolution.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.208, 95.688, 119.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.780 - 1.600 |
| R-factor | 0.12878 |
| Rwork | 0.127 |
| R-free | 0.15582 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.100 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.780 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.076 | |
| Number of reflections | 111418 | 17741 |
| <I/σ(I)> | 9.5 | 2.1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4.4 | 4.4 |
| CC(1/2) | 0.720 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 283 | 20% - 30% PEG3350, 0.1M BIS-TRIS PH 5.5 |
