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 | I 2 2 2 |
| Unit cell lengths | 296.937, 306.875, 322.559 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.938 - 3.089 |
| R-factor | 0.2663 |
| Rwork | 0.266 |
| R-free | 0.27100 |
| 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] | 48.938 | 48.938 | 3.280 |
| High resolution limit [Å] | 3.089 | 9.120 | 3.090 |
| Rmerge | 0.358 | 0.046 | 2.785 |
| Rmeas | 0.395 | 0.051 | 3.074 |
| Number of reflections | 264708 | 10690 | 40834 |
| <I/σ(I)> | 5.56 | 28.48 | 0.58 |
| Completeness [%] | 99.1 | 98.7 | 95.4 |
| Redundancy | 5.665 | 5.17 | 5.542 |
| CC(1/2) | 0.985 | 0.998 | 0.221 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 30% PEG 400, 0.2 M sodium citrate, 0.1 M Tris-HCl pH 8.5 |
