4R0V
[FeFe]-hydrogenase Oxygen Inactivation is Initiated by the Modification and Degradation of the H cluster 2Fe Subcluster
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2013-05-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.73450 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.645, 70.964, 94.686 |
| Unit cell angles | 90.00, 91.91, 90.00 |
Refinement procedure
| Resolution | 35.000 - 2.290 |
| R-factor | 0.20882 |
| Rwork | 0.206 |
| R-free | 0.25211 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lx4 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.093 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 94.633 | 2.410 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Number of reflections | 41114 | |
| Completeness [%] | 88.2 | 12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SMALL TUBES | 6.5 | 298 | 25.5% Polyethylene Glycol 8,000, 0.085 M Sodium Cacodylate, 0.17 M Sodium Acetate Trihydrate, 1mM Sodium Dithionite, pH 6.5, SMALL TUBES, temperature 298K |
