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 | 2024-06-28 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9405 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.383, 73.350, 76.955 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.020 - 1.270 |
| R-factor | 0.166 |
| Rwork | 0.166 |
| R-free | 0.19120 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.003 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.100 | 1.290 |
| High resolution limit [Å] | 1.270 | 1.270 |
| Rpim | 0.037 | 0.892 |
| Number of reflections | 101950 | 4949 |
| <I/σ(I)> | 9.7 | 0.4 |
| Completeness [%] | 99.5 | |
| Redundancy | 13.4 | |
| CC(1/2) | 0.999 | 0.270 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 0.1M bis-tris pH 5.8, 32% PEG 3350, 0.15M (NH4)2SO4 |
