9ERS
Hydrogenase-2 Ni-C state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.8153 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 99.864, 100.065, 168.359 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.732 - 1.590 |
| Rwork | 0.173 |
| R-free | 0.19660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.353 |
| 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] | 44.732 | 1.620 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.312 | 3.840 |
| Rpim | 0.059 | 0.750 |
| Number of reflections | 224817 | 11010 |
| <I/σ(I)> | 5.9 | 0.3 |
| Completeness [%] | 99.6 | 98.4 |
| Redundancy | 28.3 | |
| CC(1/2) | 0.997 | 0.502 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 100 mM Tris 200 mM MgCl2 20% PEG3350 |
