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 | 2022-02-07 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.96546 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.020, 67.980, 155.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 77.550 - 1.800 |
| R-factor | 0.2267 |
| Rwork | 0.224 |
| R-free | 0.28030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.480 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.550 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.241 | 1.321 |
| Rmeas | 0.252 | 1.390 |
| Number of reflections | 45017 | 3257 |
| <I/σ(I)> | 7.88 | |
| Completeness [%] | 99.9 | |
| Redundancy | 11.8 | |
| CC(1/2) | 0.992 | 0.621 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20% (w/v) PEG 3350, 0.2 M ammonium chloride |
