Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-04-13 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.314, 71.319, 193.018 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.160 - 3.100 |
| R-factor | 0.2895 |
| Rwork | 0.288 |
| R-free | 0.31190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.329 |
| Data reduction software | HKL-2000 (v721.3) |
| Data scaling software | HKL-2000 (v721.3) |
| Phasing software | PHENIX (1.20.1_4487) |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.250 | 3.211 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.247 | 1.149 |
| Rmeas | 0.261 | 1.206 |
| Rpim | 0.079 | 0.357 |
| Number of reflections | 17590 | 1716 |
| <I/σ(I)> | 10.13 | 1.89 |
| Completeness [%] | 96.8 | 97.55 |
| Redundancy | 9.8 | 10 |
| CC(1/2) | 0.992 | 0.834 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M sodium chloride, 0.1 M Bis-Tris, 1.3-1.7 M ammonium sulfate, 0.01 M cadmium chloride |
