Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.898 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 78.783, 78.783, 137.078 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 68.321 - 2.130 |
| Rwork | 0.218 |
| R-free | 0.28060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dai |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.556 |
| 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] | 68.321 | 68.230 | 2.190 |
| High resolution limit [Å] | 2.130 | 9.040 | 2.130 |
| Rmerge | 0.194 | 0.021 | 6.584 |
| Rmeas | 0.198 | 0.022 | 6.739 |
| Rpim | 0.043 | 0.005 | 1.435 |
| Number of reflections | 14759 | 7730 | 47966 |
| <I/σ(I)> | 17.6 | ||
| Completeness [%] | 100.0 | ||
| Redundancy | 38.9 | 29.8 | 41 |
| CC(1/2) | 1.000 | 1.000 | 0.365 |
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 |
