9ERA
Hydrogenase-1 Ni-Lii 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 | 2022-11-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.8153 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 93.679, 97.072, 183.149 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.287 - 1.650 |
| Rwork | 0.204 |
| R-free | 0.22220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.318 |
| 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] | 54.300 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.419 | 3.460 |
| Rpim | 0.116 | 0.941 |
| Number of reflections | 200470 | 9808 |
| <I/σ(I)> | 4.5 | 0.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14 | 14.4 |
| CC(1/2) | 0.990 | 0.445 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 296 | 100 mM Tris 200 mM Li2SO4 150 mM NaCl 20% PEG 3350 |
