6SG2
FeFe Hydrogenase from Desulfovibrio desulfuricans in Hinact state
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.340, 86.820, 88.170 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.448 - 1.650 |
| Rwork | 0.171 |
| R-free | 0.21210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hfe |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.307 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.450 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.158 | 2.110 |
| Number of reflections | 46365 | 2253 |
| <I/σ(I)> | 10.6 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13 | 12.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 285 | 0.9 M LiCl, 26% PEG6000, 0.1 M sodium acetate |
