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 | 2017-10-05 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97629 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.723, 213.727, 55.842 |
| Unit cell angles | 90.00, 96.96, 90.00 |
Refinement procedure
| Resolution | 55.440 - 1.940 |
| R-factor | 0.21715 |
| Rwork | 0.215 |
| R-free | 0.25846 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.304 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BUSTER |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 106.860 | 2.040 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmeas | 0.044 | 0.439 |
| Number of reflections | 78707 | 11425 |
| <I/σ(I)> | 13.8 | 2.7 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.5M K formate 15% PEG 3350 0.1M pH=8 Bis-Tris propane/HCl |
