Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-04-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97954 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 121.384, 121.402, 160.533 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.460 - 1.810 |
| R-factor | 0.181 |
| Rwork | 0.180 |
| R-free | 0.20092 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 9iku |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.084 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.460 | 1.875 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.071 | 0.611 |
| Rmeas | 0.074 | 0.637 |
| Rpim | 0.020 | 0.177 |
| Number of reflections | 53676 | 5172 |
| <I/σ(I)> | 23.32 | 3.71 |
| Completeness [%] | 99.7 | 97.79 |
| Redundancy | 13.2 | 12.8 |
| CC(1/2) | 0.999 | 0.931 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M (NH4)2OAc, 1.9 M (NH4)2SO4, 4% isopropanol |
