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 | 2024-03-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.96863 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.437, 108.718, 93.833 |
| Unit cell angles | 90.00, 96.66, 90.00 |
Refinement procedure
| Resolution | 54.360 - 1.800 |
| R-factor | 0.1947 |
| Rwork | 0.193 |
| R-free | 0.22930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.806 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.360 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.104 | 1.055 |
| Number of reflections | 83651 | 4580 |
| <I/σ(I)> | 9.4 | 1.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.8 | 6.9 |
| CC(1/2) | 0.998 | 0.609 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.2 M calcium chloride, 0.1 M HEPES, 24% PEG6000 |
