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) | 0.9762 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 79.435, 79.435, 137.648 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.702 - 1.500 |
| Rwork | 0.190 |
| R-free | 0.21930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dai |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.923 |
| 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] | 61.540 | 61.540 | 1.530 |
| High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
| Rmerge | 0.113 | 0.082 | 2.977 |
| Rmeas | 0.118 | 0.085 | 3.163 |
| Rpim | 0.035 | 0.025 | 1.048 |
| Number of reflections | 41568 | 339 | 1930 |
| <I/σ(I)> | 11.9 | ||
| Completeness [%] | 99.5 | ||
| Redundancy | 20.9 | 16.8 | 16.8 |
| CC(1/2) | 0.998 | 0.996 | 0.405 |
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 |
