9ER7
Hydrogenase-1 Ni-SCO 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 | 2022-05-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.7749 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 93.790, 96.010, 182.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.197 - 1.400 |
| Rwork | 0.169 |
| R-free | 0.18940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.745 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC (5.8.0425) |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.200 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.270 | 3.240 |
| Rpim | 0.055 | 0.630 |
| Number of reflections | 322458 | 217651 |
| <I/σ(I)> | 6.3 | 0.5 |
| Completeness [%] | 99.4 | 98.6 |
| Redundancy | 14 | 14 |
| CC(1/2) | 0.999 | 0.533 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 296 | 100 mM tris pH8 200 mM LiSO4 150 mM NaCl 19-21% PEG 3350 |
