Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-04 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.9179 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.113, 46.304, 63.593 |
| Unit cell angles | 90.00, 112.12, 90.00 |
Refinement procedure
| Resolution | 31.320 - 1.600 |
| R-factor | 0.2224 |
| Rwork | 0.221 |
| R-free | 0.24550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.860 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4 (16-JUL-2021)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.910 | 1.680 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.099 | 7.194 |
| Rmeas | 0.101 | 7.338 |
| Rpim | 0.020 | 1.432 |
| Total number of observations | 1013851 | 158514 |
| Number of reflections | 38789 | 6120 |
| <I/σ(I)> | 17 | 0.4 |
| Completeness [%] | 91.2 | |
| Redundancy | 26.1 | 25.9 |
| CC(1/2) | 1.000 | 0.489 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 112.5 mM MES pH 6.5, 35% glycerol ethoxylate and 180 mM ammonium acetate |
