Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-10 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.508, 53.476, 45.375 |
| Unit cell angles | 90.00, 101.88, 90.00 |
Refinement procedure
| Resolution | 48.260 - 1.780 |
| R-factor | 0.2 |
| Rwork | 0.197 |
| R-free | 0.23170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.882 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.010 | 1.820 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.067 | 3.336 |
| Number of reflections | 25826 | 1497 |
| <I/σ(I)> | 16.1 | 0.5 |
| Completeness [%] | 99.8 | |
| Redundancy | 8.9 | |
| CC(1/2) | 0.999 | 0.311 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291.15 | 0.2 M Potassium chloride, 20% w/v Polyethylene glycol 3,350 |
