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 | 2023-12-12 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 46.344, 70.664, 146.349 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.750 - 1.930 |
| R-factor | 0.18354 |
| Rwork | 0.181 |
| R-free | 0.24122 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.810 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.750 | 1.999 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.160 | 1.303 |
| Rmeas | 0.166 | 1.358 |
| Rpim | 0.045 | 0.376 |
| Number of reflections | 17297 | 1563 |
| <I/σ(I)> | 12.29 | 2.07 |
| Completeness [%] | 93.4 | 85.81 |
| Redundancy | 13.1 | 12.3 |
| CC(1/2) | 0.998 | 0.711 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M Na Acet, 0.1 M Na Cacod 6.5 pH, 30 %w/v PEG 8K |
