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) | 0.91162 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 79.370, 79.370, 137.288 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.570 - 1.500 |
| Rwork | 0.204 |
| R-free | 0.23620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dai |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.131 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.570 | 48.570 | 1.530 |
| High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
| Rmerge | 0.115 | 0.028 | 9.075 |
| Rmeas | 0.118 | 0.028 | 9.295 |
| Rpim | 0.025 | 0.006 | 2.005 |
| Number of reflections | 41696 | 340 | 2033 |
| <I/σ(I)> | 19 | ||
| Completeness [%] | 100.0 | ||
| Redundancy | 39.6 | 29.5 | 40.2 |
| CC(1/2) | 1.000 | 1.000 | 0.458 |
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 |
