Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.07252 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.920, 213.932, 55.997 |
| Unit cell angles | 90.00, 97.02, 90.00 |
Refinement procedure
| Resolution | 45.620 - 1.890 |
| R-factor | 0.20218 |
| Rwork | 0.200 |
| R-free | 0.24227 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.308 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.920 | 1.940 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmeas | 0.148 | 0.693 |
| Number of reflections | 82544 | 4404 |
| <I/σ(I)> | 4.8 | 2 |
| Completeness [%] | 97.1 | 85.7 |
| Redundancy | 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 |
