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 | 2021-11-22 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.063, 52.781, 45.874 |
| Unit cell angles | 90.00, 102.56, 90.00 |
Refinement procedure
| Resolution | 47.690 - 1.800 |
| R-factor | 0.1601 |
| Rwork | 0.157 |
| R-free | 0.19420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.069 |
| 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] | 55.560 | 1.760 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.067 | 1.211 |
| Rpim | 0.038 | 0.692 |
| Number of reflections | 27609 | 1513 |
| <I/σ(I)> | 11.5 | 1.1 |
| Completeness [%] | 99.4 | 99 |
| Redundancy | 3.9 | 4 |
| CC(1/2) | 0.998 | 0.371 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291.15 | 0.05 M Magnesium chloride hexahydrate, 0.1 M HEPES, 30% v/v Polyethylene glycol monomethyl ether 550 |
