Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.03285 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.650, 56.510, 74.120 |
| Unit cell angles | 90.00, 96.04, 90.00 |
Refinement procedure
| Resolution | 40.420 - 1.510 |
| R-factor | 0.1579 |
| Rwork | 0.158 |
| R-free | 0.16560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.118 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.420 | 1.533 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.070 | 0.864 |
| Number of reflections | 52208 | 2562 |
| <I/σ(I)> | 15 | |
| Completeness [%] | 98.8 | |
| Redundancy | 6.2 | |
| CC(1/2) | 0.990 | 0.727 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | IndexHT condidion A5: 0.2 M (NH4)2SO4; 0.1M HEPES pH 7.5 |
