Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-06-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.987 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.893, 83.819, 61.674 |
| Unit cell angles | 90.00, 100.77, 90.00 |
Refinement procedure
| Resolution | 37.769 - 2.218 |
| R-factor | 0.2019 |
| Rwork | 0.199 |
| R-free | 0.25140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.955 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.769 | 2.350 |
| High resolution limit [Å] | 2.218 | 2.220 |
| Number of reflections | 34638 | 5487 |
| <I/σ(I)> | 9.31 | |
| Completeness [%] | 92.4 | |
| Redundancy | 2.77 | |
| CC(1/2) | 0.996 | 0.881 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 292 | 0.1M Tris/Bicine pH 8.5, 15% (v/v) MPD, 15% (w/v) PEG 1000, 15% (w/v) PEG 3350, 0.03M NaBr, 0.03M NaF, 0.03M NaI |
