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 | 2018-01-27 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 325.466, 298.520, 417.119 |
| Unit cell angles | 90.00, 100.00, 90.00 |
Refinement procedure
| Resolution | 49.317 - 3.590 |
| R-factor | 0.2779 |
| Rwork | 0.278 |
| R-free | 0.28290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ms2 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | FFT |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.317 | 49.317 | 3.810 |
| High resolution limit [Å] | 3.590 | 10.550 | 3.590 |
| Rmerge | 0.471 | 0.046 | 2.451 |
| Rmeas | 0.601 | 0.059 | 3.127 |
| Number of reflections | 854781 | 33083 | 135102 |
| <I/σ(I)> | 2.85 | 16.07 | 0.44 |
| Completeness [%] | 93.9 | 90.6 | 92.4 |
| Redundancy | 2.424 | 2.213 | 2.423 |
| CC(1/2) | 0.924 | 0.998 | 0.189 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 30% MPD, 0.2 M sodium citrate, 0.1 M HEPES pH 7.5 |
