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 | 2019-02-26 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 61.317, 90.770, 34.948 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.426 - 1.290 |
| Rwork | 0.161 |
| R-free | 0.20220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | D_1292116031 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.792 |
| 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] | 90.770 | 1.310 |
| High resolution limit [Å] | 1.290 | 1.290 |
| Rmerge | 0.079 | 0.368 |
| Rmeas | 0.082 | 0.406 |
| Rpim | 0.023 | 0.166 |
| Number of reflections | 48391 | 1674 |
| <I/σ(I)> | 15 | 2.9 |
| Completeness [%] | 96.9 | |
| Redundancy | 11.3 | |
| CC(1/2) | 0.998 | 0.934 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 100 mM potassium thiocyanate, 30% (w/v) PEG2000MME |
