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 | 2019-07-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 79.298, 79.298, 137.846 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 61.470 - 1.470 |
| Rwork | 0.202 |
| R-free | 0.23040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dai |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.109 |
| 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] | 61.470 | 61.470 | 1.500 |
| High resolution limit [Å] | 1.470 | 8.050 | 1.470 |
| Rmerge | 0.080 | 0.056 | 3.838 |
| Rmeas | 0.084 | 0.059 | 4.172 |
| Rpim | 0.025 | 0.018 | 1.613 |
| Number of reflections | 44319 | 308 | 1909 |
| <I/σ(I)> | 16.6 | ||
| Completeness [%] | 100.0 | ||
| Redundancy | 20.1 | 15.9 | 12.4 |
| CC(1/2) | 0.999 | 0.997 | 0.375 |
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 |
