Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-02-18 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 152.424, 52.154, 88.855 |
| Unit cell angles | 90.00, 105.67, 90.00 |
Refinement procedure
| Resolution | 85.554 - 2.646 |
| Rwork | 0.178 |
| R-free | 0.23330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Alphafold model |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.660 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.554 | 2.690 |
| High resolution limit [Å] | 2.646 | 2.650 |
| Number of reflections | 19765 | 978 |
| <I/σ(I)> | 10.5 | |
| Completeness [%] | 99.1 | |
| Redundancy | 4 | |
| CC(1/2) | 0.990 | 0.760 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M buffer system 1 (1 M MES/ 1M Imidazole, pH 6.5), 45% EDO_P8K (40% w/v Ethylene glycol, 20% w/v PEG 8000), divalent cations (0.3 M Magnesium Chloride, O.3 M Calcium Chloride) |
