6QGR
The F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri at the Nia-S state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2017-10-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.981 |
| Spacegroup name | F 2 3 |
| Unit cell lengths | 235.826, 235.826, 235.826 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.138 - 1.839 |
| R-factor | 0.1758 |
| Rwork | 0.175 |
| R-free | 0.22060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4omf |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.337 |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.882 |
| High resolution limit [Å] | 1.839 | 1.839 |
| Rmeas | 0.211 | |
| Number of reflections | 183344 | |
| <I/σ(I)> | 6.62 | |
| Completeness [%] | 99.6 | |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | Tris, MPD, PEG1000 |
