Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2019-03-22 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 328.670, 373.710, 310.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.332 - 3.300 |
| R-factor | 0.2649 |
| Rwork | 0.265 |
| R-free | 0.26700 |
| 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] | 49.332 | 49.332 | 3.500 |
| High resolution limit [Å] | 3.300 | 9.700 | 3.300 |
| Rmerge | 0.647 | 0.176 | 2.255 |
| Rmeas | 0.715 | 0.192 | 2.747 |
| Total number of observations | 2846288 | ||
| Number of reflections | 536242 | 22814 | 70084 |
| <I/σ(I)> | 2.28 | 8.24 | 0.46 |
| Completeness [%] | 94.4 | 98 | 76.8 |
| Redundancy | 5.308 | 5.742 | 2.453 |
| CC(1/2) | 0.937 | 0.983 | 0.171 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 5% PEG 4000, 0.1 M magnesium chloride, 0.1 M MES pH 6.5 |
