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 | 2017-09-01 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 298.111, 325.048, 346.016 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.392 - 3.794 |
| R-factor | 0.2611 |
| Rwork | 0.261 |
| R-free | 0.26680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ms2 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | FFT |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.431 | 49.431 | 4.020 |
| High resolution limit [Å] | 3.790 | 11.120 | 3.790 |
| Rmerge | 0.372 | 0.058 | 1.495 |
| Rmeas | 0.440 | 0.070 | 1.772 |
| Total number of observations | 1102291 | ||
| Number of reflections | 323225 | 12928 | 50207 |
| <I/σ(I)> | 3.55 | 15.6 | 0.77 |
| Completeness [%] | 98.0 | 94.1 | 95.3 |
| Redundancy | 3.41 | 2.914 | 3.358 |
| CC(1/2) | 0.965 | 0.995 | 0.243 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 66% MPD, 100 mM Tris-HCl pH 8.0 |
