Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-30 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 107.460, 139.240, 129.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.128 - 1.890 |
| Rwork | 0.198 |
| R-free | 0.23030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6siw |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.563 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.130 | 1.940 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.119 | 1.628 |
| Number of reflections | 77807 | 5703 |
| <I/σ(I)> | 9.4 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.5 | 6.7 |
| CC(1/2) | 0.997 | 0.650 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M KSCN, 0.1 M sodium citrate pH 6, 24-32% PEG MME 2K |
