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 | 2018-01-22 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.770, 91.830, 82.550 |
| Unit cell angles | 90.00, 92.36, 90.00 |
Refinement procedure
| Resolution | 61.438 - 2.010 |
| Rwork | 0.190 |
| R-free | 0.23830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3abb |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.587 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.438 | 2.060 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.078 | 1.310 |
| Rmeas | 0.092 | |
| Number of reflections | 50350 | 3703 |
| <I/σ(I)> | 14 | 1.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.8 | 6.7 |
| CC(1/2) | 0.999 | 0.728 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 M Bis-Tris pH 7, 25% PEG3350, 0.2 M MgCl2 |
