9ERC
Hydrogenase-2 Ni-Li state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.6199 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 99.877, 99.974, 168.071 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 86.070 - 1.308 |
| Rwork | 0.174 |
| R-free | 0.19300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.546 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.330 |
| High resolution limit [Å] | 1.308 | 1.310 |
| Rmerge | 0.215 | 3.780 |
| Rpim | 0.060 | 1.040 |
| Number of reflections | 402048 | 19627 |
| <I/σ(I)> | 5.8 | 0.3 |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 13.9 | 14 |
| CC(1/2) | 0.998 | 0.313 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 100 mM BisTris 200 mM MgCl2 20% PEG 3350 |
