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 | 2019-06-08 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 453.153, 309.759, 294.603 |
| Unit cell angles | 90.00, 130.08, 90.00 |
Refinement procedure
| Resolution | 49.343 - 3.498 |
| R-factor | 0.2524 |
| Rwork | 0.252 |
| R-free | 0.25930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ms2 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | FFT |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.343 | 49.343 | 3.710 |
| High resolution limit [Å] | 3.498 | 10.290 | 3.500 |
| Rmerge | 0.473 | 0.034 | 4.064 |
| Rmeas | 0.556 | 0.040 | 4.783 |
| Number of reflections | 381940 | 14951 | 60580 |
| <I/σ(I)> | 3.5 | 28.79 | 0.29 |
| Completeness [%] | 97.5 | 95 | 96.3 |
| Redundancy | 3.533 | 3.452 | 3.521 |
| CC(1/2) | 0.970 | 0.999 | 0.110 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 38% MPD, 0.1 M sodium acetate pH 4.6 |
