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 | 2019-07-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 79.521, 79.521, 137.408 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 68.870 - 1.440 |
| Rwork | 0.220 |
| R-free | 0.24370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dai |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.121 |
| 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] | 68.870 | 68.870 | 1.470 |
| High resolution limit [Å] | 1.440 | 7.750 | 1.440 |
| Rmerge | 0.058 | 0.037 | 3.990 |
| Rmeas | 0.060 | 0.039 | 4.413 |
| Rpim | 0.018 | 0.012 | 1.868 |
| Number of reflections | 47120 | 355 | 2331 |
| <I/σ(I)> | 20.5 | ||
| Completeness [%] | 99.9 | ||
| Redundancy | 19.6 | 15.3 | 10.5 |
| CC(1/2) | 1.000 | 0.999 | 0.337 |
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 |
