Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 78.271, 64.290, 39.850 |
| Unit cell angles | 90.00, 115.55, 90.00 |
Refinement procedure
| Resolution | 33.803 - 1.650 |
| Rwork | 0.219 |
| R-free | 0.27910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vb0 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.612 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.950 | 1.740 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 43026 | 6281 |
| <I/σ(I)> | 15.4 | |
| Completeness [%] | 98.1 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.999 | 0.874 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.6 | 293 | 0.2 M MgCl2 0.1M Tris-HCl pH 8.6 25% PEG 3350 |
