Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.313, 58.361, 43.159 |
| Unit cell angles | 90.00, 93.40, 90.00 |
Refinement procedure
| Resolution | 43.080 - 1.840 |
| R-factor | 0.1654 |
| Rwork | 0.163 |
| R-free | 0.22203 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.601 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.870 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.104 | 0.381 |
| Number of reflections | 17427 | 862 |
| <I/σ(I)> | 14.19 | 2.05 |
| Completeness [%] | 97.4 | |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.1 M Bis Tris pH 7.5, 25% PEG 3350 |
