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] | 77 |
| Detector technology | PIXEL |
| Collection date | 2020-10-06 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.812, 120.661, 195.247 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.398 - 2.750 |
| R-factor | 0.2417 |
| Rwork | 0.240 |
| R-free | 0.28140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tgr |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.14) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.400 | 2.850 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.159 | 0.999 |
| Number of reflections | 44923 | 4332 |
| <I/σ(I)> | 10.5 | |
| Completeness [%] | 99.8 | |
| Redundancy | 10.39 | |
| CC(1/2) | 0.995 | 0.802 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 290 | 23% (w/v) PEG 1500, 0.1 M CaCl2, 0.1 M imidazole pH 6.5 |
