Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-03-06 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.6199 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 16.643, 9.082, 27.945 |
| Unit cell angles | 90.00, 98.93, 90.00 |
Refinement procedure
| Resolution | 11.490 - 1.040 |
| R-factor | 0.0876 |
| Rwork | 0.086 |
| R-free | 0.10100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.013 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 11.490 | 1.077 |
| High resolution limit [Å] | 1.040 | 1.040 |
| Number of reflections | 4131 | 399 |
| <I/σ(I)> | 44.12 | |
| Completeness [%] | 97.7 | |
| Redundancy | 6.5 | |
| CC(1/2) | 0.990 | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SLOW COOLING | 298 | methanol, water, acetonitrile |
