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 | 2019-10-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.898 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 79.257, 79.257, 137.706 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 68.733 - 2.520 |
| Rwork | 0.203 |
| R-free | 0.23990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dai |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.677 |
| 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] | 68.850 | 68.850 | 2.620 |
| High resolution limit [Å] | 2.520 | 9.090 | 2.520 |
| Rmerge | 0.700 | 0.108 | |
| Rmeas | 0.717 | 0.112 | 11.298 |
| Rpim | 0.156 | 0.026 | 2.444 |
| Number of reflections | 9241 | 263 | 1014 |
| <I/σ(I)> | 10.7 | ||
| Completeness [%] | 100.0 | ||
| Redundancy | 37.8 | 28.1 | 38.8 |
| CC(1/2) | 0.959 | 0.949 | 0.463 |
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 |
