Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-01-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.96546 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.730, 68.940, 160.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.008 - 2.600 |
| Rwork | 0.231 |
| R-free | 0.27430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.539 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.670 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.297 | 0.836 |
| Rmeas | 0.325 | 0.920 |
| Number of reflections | 16006 | 1190 |
| <I/σ(I)> | 5.68 | |
| Completeness [%] | 98.4 | 100 |
| Redundancy | 6.2 | 5.8 |
| CC(1/2) | 0.966 | 0.584 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 18% (w/v) PEG 3350, 0.2 M ammonium chloride |
