Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-01-24 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 |
| Unit cell lengths | 161.917, 162.066, 162.976 |
| Unit cell angles | 71.16, 66.67, 66.83 |
Refinement procedure
| Resolution | 51.880 - 2.600 |
| R-factor | 0.3177 |
| Rwork | 0.318 |
| R-free | 0.32310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ms2 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | FFT |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 51.880 | 51.880 | 2.740 |
| High resolution limit [Å] | 2.600 | 8.220 | 2.600 |
| Rmerge | 0.105 | 1.134 | |
| Rmeas | 0.300 | 0.130 | 1.440 |
| Rpim | 0.178 | 0.075 | 0.875 |
| Total number of observations | 690098 | 29161 | 71242 |
| Number of reflections | 294001 | 10763 | 34643 |
| <I/σ(I)> | 2.5 | 7.2 | 0.5 |
| Completeness [%] | 69.7 | 80.6 | 56.2 |
| Redundancy | 2.3 | 2.7 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 34% MPD, 0.1 M sodium nitrate, 0.1M sodium acetate pH 4.6 |
