Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-21 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97628 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.463, 45.270, 65.493 |
| Unit cell angles | 99.92, 90.58, 104.38 |
Refinement procedure
| Resolution | 29.680 - 2.340 |
| R-factor | 0.22768 |
| Rwork | 0.224 |
| R-free | 0.28975 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.502 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.680 | 2.420 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmerge | 0.182 | 0.571 |
| Rmeas | 0.225 | 0.687 |
| Rpim | 0.130 | 0.377 |
| Total number of observations | 62811 | 6559 |
| Number of reflections | 19467 | 1951 |
| <I/σ(I)> | 5.7 | 2.1 |
| Completeness [%] | 94.8 | |
| Redundancy | 3.2 | 3.4 |
| CC(1/2) | 0.908 | 0.503 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 0.2 M Magnesium Chloride, 0.5 M Sodium Chloride, 0.1 M Tris-HCl pH 8.1, 32.5% w/v PEG 3350 |
