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 | 2019-07-08 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.032, 61.745, 50.197 |
| Unit cell angles | 90.00, 95.20, 90.00 |
Refinement procedure
| Resolution | 35.909 - 1.300 |
| Rwork | 0.131 |
| R-free | 0.15250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | D_1292116023 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.803 |
| 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] | 35.909 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.041 | 0.227 |
| Rmeas | 0.045 | 0.277 |
| Rpim | 0.017 | 0.155 |
| Number of reflections | 52232 | 1891 |
| <I/σ(I)> | 20.3 | 3.5 |
| Completeness [%] | 97.0 | |
| Redundancy | 5.9 | |
| CC(1/2) | 0.999 | 0.949 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 50 mM potassium thiocyanate, 20% (w/v) PEG2000MME |
