Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2024-02-29 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.640, 124.700, 167.716 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.100 - 1.870 |
| R-factor | 0.16396 |
| Rwork | 0.161 |
| R-free | 0.22024 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.282 |
| Data scaling software | HKL-3000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.900 |
| High resolution limit [Å] | 1.870 | 5.070 | 1.870 |
| Rmerge | 0.068 | 0.033 | 0.940 |
| Rmeas | 0.077 | 0.037 | 1.051 |
| Rpim | 0.034 | 0.015 | 0.460 |
| Total number of observations | 429746 | ||
| Number of reflections | 99776 | 5437 | 5093 |
| <I/σ(I)> | 13.1 | ||
| Completeness [%] | 91.2 | 92.8 | 94.1 |
| Redundancy | 4.3 | 5.6 | 4.7 |
| CC(1/2) | 0.999 | 0.999 | 0.666 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20.0 P3350, 0.2 di-NH4tart |
