Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-01 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.920 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 112.590, 112.590, 104.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.600 - 2.780 |
| Rwork | 0.180 |
| R-free | 0.25050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6tjs |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.679 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.600 | 2.930 |
| High resolution limit [Å] | 2.780 | 2.780 |
| Rmerge | 0.040 | 0.456 |
| Number of reflections | 8791 | 315 |
| <I/σ(I)> | 10.7 | |
| Completeness [%] | 99.8 | 99.1 |
| Redundancy | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Morpheus screen |
