Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-05-20 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.87313 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.548, 46.512, 45.588 |
| Unit cell angles | 90.00, 97.74, 90.00 |
Refinement procedure
| Resolution | 32.405 - 2.022 |
| Rwork | 0.236 |
| R-free | 0.26720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.439 |
| Data scaling software | autoPROC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.405 | 5.479 |
| High resolution limit [Å] | 2.022 | 2.022 |
| Rmerge | 1.223 | |
| Rmeas | 0.414 | |
| Rpim | 0.754 | |
| Number of reflections | 9919 | 470 |
| <I/σ(I)> | 2.6 | 1.2 |
| Completeness [%] | 98.8 | 100 |
| Redundancy | 3.5 | 3.5 |
| CC(1/2) | 0.925 | 0.378 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.2M Lithium sulfate monohydrate, 0.1M HEPES pH 7.5, 25% w/v PEG 3350 |
