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 | 2019-08-04 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.034, 71.282, 85.542 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.771 - 1.520 |
| Rwork | 0.173 |
| R-free | 0.20270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | D_1292116023 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.530 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.770 | 1.560 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.100 | 0.932 |
| Rmeas | 0.109 | 1.072 |
| Rpim | 0.043 | 0.514 |
| Number of reflections | 33587 | 2218 |
| <I/σ(I)> | 8.8 | 1.2 |
| Completeness [%] | 99.3 | |
| Redundancy | 6 | |
| CC(1/2) | 0.997 | 0.581 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 64 mM potassium thiocyanate, 20% (w/v) PEG2000MME |
