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 | 2018-05-09 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 287.110, 492.500, 553.706 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.357 - 3.893 |
| R-factor | 0.2666 |
| Rwork | 0.267 |
| R-free | 0.26990 |
| 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] | 49.410 | 49.410 | 4.130 |
| High resolution limit [Å] | 3.890 | 11.400 | 3.890 |
| Rmerge | 0.859 | 0.100 | 3.144 |
| Rmeas | 0.968 | 0.113 | 3.578 |
| Total number of observations | 1622019 | ||
| Number of reflections | 351942 | 14341 | 54883 |
| <I/σ(I)> | 2.26 | 12.34 | 0.47 |
| Completeness [%] | 99.1 | 97.5 | 96.7 |
| Redundancy | 4.609 | 4.363 | 4.296 |
| CC(1/2) | 0.836 | 0.995 | 0.136 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.55 M sodium malonate, 0.25% Jeffamine ED-2003, 0.05 M HEPES pH 7.0 |
