Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2020-10-06 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.577, 120.754, 195.277 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.157 - 2.700 |
| R-factor | 0.237 |
| Rwork | 0.235 |
| R-free | 0.27930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tgr |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.820 | 2.790 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.113 | |
| Number of reflections | 47367 | 4404 |
| <I/σ(I)> | 11.6 | |
| Completeness [%] | 99.9 | |
| Redundancy | 7.25 | |
| CC(1/2) | 0.998 | 0.776 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 23% (w/v) PEG 1500, 0.1 M CaCl2, 0.1 M imidazole pH 6.5 |
