Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-10-08 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.7460 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.556, 40.135, 42.052 |
| Unit cell angles | 90.00, 111.87, 90.00 |
Refinement procedure
| Resolution | 39.030 - 1.820 |
| R-factor | 0.2617 |
| Rwork | 0.260 |
| R-free | 0.29470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.519 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.030 | 1.880 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.085 | 4.640 |
| Number of reflections | 11680 | 834 |
| <I/σ(I)> | 12.29 | |
| Completeness [%] | 97.0 | 73.39 |
| Redundancy | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.15 M Potassium Bromide and 30 % (w/v) PEG 2000 MME |
