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] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-06-25 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.528, 87.877, 89.896 |
| Unit cell angles | 90.00, 104.31, 90.00 |
Refinement procedure
| Resolution | 39.230 - 1.910 |
| R-factor | 0.2166 |
| Rwork | 0.214 |
| R-free | 0.26130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.723 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.020 |
| High resolution limit [Å] | 1.910 | 4.200 | 1.950 |
| Rmerge | 0.114 | 0.059 | 0.646 |
| Rmeas | 0.140 | 0.073 | 0.789 |
| Rpim | 0.080 | 0.042 | 0.446 |
| Number of reflections | 49105 | 4856 | 4926 |
| <I/σ(I)> | 8.4 | ||
| Completeness [%] | 96.7 | 93.6 | 98.3 |
| Redundancy | 3 | 2.9 | 2.9 |
| CC(1/2) | 0.985 | 0.990 | 0.464 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 13-18% PEG3350, 0.2M NaSCN, 0.1 M Bis-Tris Propane, pH = 7.5 |
