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 | 2021-05-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97628 |
| Spacegroup name | P 1 |
| Unit cell lengths | 49.245, 59.679, 81.171 |
| Unit cell angles | 78.79, 81.72, 76.03 |
Refinement procedure
| Resolution | 28.410 - 2.500 |
| Rwork | 0.178 |
| R-free | 0.24530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.226 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.410 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.051 | 0.225 |
| Number of reflections | 29822 | 3405 |
| <I/σ(I)> | 9.2 | 2.9 |
| Completeness [%] | 98.4 | 97.9 |
| Redundancy | 3.2 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | Reservoir: 33% PEG 400, 0.2 M magnesium chloride, and 0.1 M tris pH 8.0 |
