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 | 79.145, 79.145, 137.536 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 68.540 - 1.340 |
| Rwork | 0.210 |
| R-free | 0.22690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dai |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.264 |
| 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 | 1.360 |
| High resolution limit [Å] | 1.340 | 7.340 | 1.340 |
| Rmerge | 0.047 | 0.030 | 1.564 |
| Rmeas | 0.050 | 0.032 | 1.898 |
| Rpim | 0.015 | 0.010 | 1.053 |
| Number of reflections | 57366 | 385 | 2580 |
| <I/σ(I)> | 24.9 | ||
| Completeness [%] | 99.3 | ||
| Redundancy | 17.3 | 14.9 | 5.2 |
| CC(1/2) | 1.000 | 0.999 | 0.296 |
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 |
