Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-09 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9001 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.040, 70.130, 78.740 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.100 - 1.600 |
| R-factor | 0.17351 |
| Rwork | 0.172 |
| R-free | 0.20148 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.682 |
| 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] | 20.100 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.147 | 0.987 |
| Number of reflections | 61174 | 1710 |
| <I/σ(I)> | 11.6 | |
| Completeness [%] | 97.5 | |
| Redundancy | 12.7 | 8.3 |
| CC(1/2) | 0.998 | 0.814 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 0.2M Magnesium Chloride, 0.5M Sodium Chloride, 0.1M Tris-HCl pH 8.5, 32.5% w/v PEG 3350 |
