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 |