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 | 2019-02-11 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | .9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.861, 74.205, 68.539 |
| Unit cell angles | 90.00, 102.63, 90.00 |
Refinement procedure
| Resolution | 51.640 - 1.800 |
| R-factor | 0.17539 |
| Rwork | 0.173 |
| R-free | 0.22020 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.440 |
| 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] | 51.640 | 1.729 |
| High resolution limit [Å] | 1.537 | 1.537 |
| Rmeas | 0.112 | 0.751 |
| Number of reflections | 44614 | 2231 |
| <I/σ(I)> | 8.8 | |
| Completeness [%] | 90.7 | |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M KSCN 25% PEG 3350 |
