Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-06-12 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97910 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.430, 95.080, 71.500 |
| Unit cell angles | 90.00, 112.77, 90.00 |
Refinement procedure
| Resolution | 34.810 - 1.660 |
| R-factor | 0.2261 |
| Rwork | 0.225 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q6f |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.823 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.560 | 1.700 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.056 | 1.042 |
| Rmeas | 0.061 | 1.158 |
| Rpim | 0.024 | 0.497 |
| Total number of observations | 523392 | 30931 |
| Number of reflections | 80418 | 5929 |
| <I/σ(I)> | 15.6 | 1.5 |
| Completeness [%] | 99.8 | |
| Redundancy | 6.5 | 5.2 |
| CC(1/2) | 0.999 | 0.610 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG3350, 100 mM Bis-Tris propane, pH 7.5, 200 mM potassium thiocyanate |
