Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-22 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.873 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 78.562, 78.562, 78.562 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.312 - 1.203 |
| Rwork | 0.151 |
| R-free | 0.16450 |
| Structure solution method | SAD |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.362 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.500 | 1.270 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.106 | 2.480 |
| Rmeas | 0.107 | 10.700 |
| Number of reflections | 48641 | 7680 |
| <I/σ(I)> | 21.96 | 1.05 |
| Completeness [%] | 99.4 | 96.5 |
| Redundancy | 46.65 | 32.3 |
| CC(1/2) | 1.000 | 0.548 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.4 M NAPO4/NA2HPO4 PH 10.4, 0.001 M EDTA,30%ETHYLENE GLYCOL |
