8RU6
Desulfovibrio desulfuricans [FeFe]-hydrogenase variant with both subunits linked by a 4 amino acid linker peptide derived from CpI of Clostridium pasteurianum
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 | 2023-08-28 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.77486 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.397, 88.857, 106.592 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.747 - 1.150 |
| Rwork | 0.137 |
| R-free | 0.15820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.112 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.747 | 1.170 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.103 | 1.834 |
| Rmeas | 0.111 | 2.007 |
| Rpim | 0.042 | 0.806 |
| Number of reflections | 166648 | 8168 |
| <I/σ(I)> | 15.4 | 1.5 |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 13.6 | 11.9 |
| CC(1/2) | 1.000 | 0.621 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 293 | 0.2 M Lithium chloride, 0.1 M Sodium acetate, 25 % Polyethylene glycol 4000 |
