Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-01-12 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | .97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.768, 73.746, 68.406 |
| Unit cell angles | 90.00, 102.48, 90.00 |
Refinement procedure
| Resolution | 49.550 - 2.279 |
| R-factor | 0.17998 |
| Rwork | 0.176 |
| R-free | 0.26354 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.673 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.550 | 2.430 |
| High resolution limit [Å] | 2.279 | 2.279 |
| Rmeas | 0.096 | 0.287 |
| Number of reflections | 23525 | 3679 |
| <I/σ(I)> | 6.4 | |
| Completeness [%] | 84.9 | |
| Redundancy | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M KSCN 24% PEG 3350 |
