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 | 2019-09-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9116 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 79.772, 79.772, 137.872 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.800 - 1.900 |
| Rwork | 0.189 |
| R-free | 0.22130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dai |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.867 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.800 | 48.800 | 1.940 |
| High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
| Rmerge | 0.259 | 0.149 | 5.046 |
| Rmeas | 0.266 | 0.153 | 5.174 |
| Rpim | 0.058 | 0.034 | 1.142 |
| Number of reflections | 21195 | 261 | 1325 |
| <I/σ(I)> | 14.3 | ||
| Completeness [%] | 100.0 | ||
| Redundancy | 38.9 | 27.7 | 38.5 |
| CC(1/2) | 0.999 | 0.999 | 0.726 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate |
