Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-03-24 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.033 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 182.158, 121.827, 210.555 |
| Unit cell angles | 90.00, 100.02, 90.00 |
Refinement procedure
| Resolution | 30.000 - 3.180 |
| R-factor | 0.2256 |
| Rwork | 0.221 |
| R-free | 0.31260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6vrn |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.831 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.700 | 48.700 | 3.190 |
| High resolution limit [Å] | 3.110 | 13.910 | 3.110 |
| Rmerge | 0.097 | 0.024 | 1.381 |
| Rmeas | 0.121 | 0.029 | 1.950 |
| Rpim | 0.071 | 0.017 | 1.377 |
| Total number of observations | 163220 | 2510 | 4296 |
| Number of reflections | 64385 | 873 | 2708 |
| <I/σ(I)> | 8 | 37.5 | 0.4 |
| Completeness [%] | 79.2 | 91.5 | 45.5 |
| Redundancy | 2.5 | 2.9 | 1.6 |
| CC(1/2) | 0.997 | 0.999 | 0.249 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 295 | 13.5% (w/v) PEG 20,000, 0.1 M Tris-HCl |
