Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-05-28 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 115.995, 115.995, 101.042 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.980 - 3.450 |
| R-factor | 0.2838 |
| Rwork | 0.283 |
| R-free | 0.28980 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.706 |
| Data reduction software | iMOSFLM |
| Data scaling software | pointless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (v1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.980 | 3.573 |
| High resolution limit [Å] | 3.450 | 3.450 |
| Rmerge | 0.151 | 1.212 |
| Rmeas | 0.153 | 1.232 |
| Rpim | 0.029 | 0.221 |
| Number of reflections | 5663 | 553 |
| <I/σ(I)> | 23.08 | 4.26 |
| Completeness [%] | 99.7 | |
| Redundancy | 28 | |
| CC(1/2) | 0.999 | 0.963 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.1M Bis-Tris propane-HCl pH 7.0 1.0M ammonium citrate tribasic |
