Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-02-02 |
| Detector | RIGAKU HyPix-3000 |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 13.976, 13.458, 28.590 |
| Unit cell angles | 90.00, 90.19, 90.00 |
Refinement procedure
| Resolution | 14.300 - 0.900 |
| R-factor | 0.1845 |
| Rwork | 0.182 |
| R-free | 0.21060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.764 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 14.300 | 0.932 |
| High resolution limit [Å] | 0.900 | 0.900 |
| Number of reflections | 8119 | 818 |
| <I/σ(I)> | 8.19 | |
| Completeness [%] | 99.8 | |
| Redundancy | 9.1 | |
| CC(1/2) | 0.998 | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SLOW COOLING | 298 | acetonitrile and water |
