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 | 79.163, 79.163, 138.226 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 61.420 - 1.500 |
| Rwork | 0.197 |
| R-free | 0.22330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dai |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.993 |
| 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] | 61.420 | 61.420 | 1.530 |
| High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
| Rmerge | 0.077 | 0.046 | 3.267 |
| Rmeas | 0.081 | 0.048 | 3.515 |
| Rpim | 0.024 | 0.015 | 1.260 |
| Number of reflections | 40300 | 327 | 1489 |
| <I/σ(I)> | 18.2 | ||
| Completeness [%] | 96.8 | ||
| Redundancy | 19.9 | 16.5 | 12.6 |
| CC(1/2) | 0.999 | 0.999 | 0.371 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate |
