Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-30 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.7745 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 60.150, 79.080, 55.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.270 - 1.100 |
| R-factor | 0.1411 |
| Rwork | 0.140 |
| R-free | 0.16740 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.142 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.320 | 1.120 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rpim | 0.963 | 0.963 |
| Number of reflections | 108335 | 5355 |
| <I/σ(I)> | 9.8 | 0.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.5 | 12.7 |
| CC(1/2) | 1.000 | 0.337 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294.15 | 2.0 M ammonium sulphate, 5% ethanol |
