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 | 2022-03-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 91.870, 101.230, 121.420 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.300 - 1.330 |
| R-factor | 0.1842 |
| Rwork | 0.183 |
| R-free | 0.20950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.396 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.300 | 1.350 |
| High resolution limit [Å] | 1.330 | 1.330 |
| Rmerge | 0.058 | 0.780 |
| Rmeas | 0.895 | |
| Rpim | 0.024 | 0.436 |
| Number of reflections | 129094 | 6214 |
| <I/σ(I)> | 20.5 | 2.2 |
| Completeness [%] | 99.8 | |
| Redundancy | 2 | |
| CC(1/2) | 0.999 | 0.753 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 289.15 | 0.1M MOPSO/bis-tris pH 6.5, 5%(w/v) PEG 20K, 25%(w/v) 1,1,1-tris(hydroxymethyl)propane, 1%(w/v) NDSB 195, 1mM of each Alkali (10mM rubidium chloride, 10mM strontium acetate, 10mM cesium acetate, 10mM barium acetate) |
