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 | 2022-02-25 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.8153 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 60.140, 78.490, 55.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.390 - 1.190 |
| R-factor | 0.1566 |
| Rwork | 0.155 |
| R-free | 0.17940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.999 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.390 | 1.210 |
| High resolution limit [Å] | 1.190 | 1.190 |
| Rpim | 0.033 | 1.005 |
| Number of reflections | 84567 | 8048 |
| <I/σ(I)> | 10 | 0.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.5 | 13.9 |
| CC(1/2) | 1.000 | 0.295 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 2.0 M Ammonium Sulphate, 5% ethanol |
