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 | 2019-11-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.911 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 79.068, 79.068, 137.070 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 68.540 - 1.450 |
| Rwork | 0.208 |
| R-free | 0.24230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dai |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.092 |
| 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] | 68.540 | 68.540 | 1.470 |
| High resolution limit [Å] | 1.450 | 7.940 | 1.450 |
| Rmerge | 0.058 | 0.029 | 5.476 |
| Rmeas | 0.059 | 0.030 | 5.652 |
| Rpim | 0.013 | 0.007 | 1.390 |
| Number of reflections | 45657 | 370 | 2212 |
| <I/σ(I)> | 31.7 | ||
| Completeness [%] | 100.0 | ||
| Redundancy | 38 | 30.1 | 31.3 |
| CC(1/2) | 0.999 | 0.999 | 0.364 |
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 |
