Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.749, 84.384, 124.676 |
| Unit cell angles | 90.00, 92.52, 90.00 |
Refinement procedure
| Resolution | 44.060 - 2.390 |
| R-factor | 0.2243 |
| Rwork | 0.222 |
| R-free | 0.26300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.050 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
| High resolution limit [Å] | 2.390 | 5.170 | 2.400 |
| Rmerge | 0.181 | 0.103 | 1.545 |
| Rmeas | 0.200 | 0.115 | |
| Rpim | 0.084 | 0.050 | 0.691 |
| Number of reflections | 69722 | 7140 | 6903 |
| <I/σ(I)> | 4.2 | ||
| Completeness [%] | 99.8 | 99.6 | 99.9 |
| Redundancy | 5.5 | 5.3 | 5.6 |
| CC(1/2) | 0.997 | 0.992 | 0.662 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 277 | 0.1 M HEPES, 0.1 M MgAc2, 20% PEG3350 |
