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 | H 3 |
| Unit cell lengths | 283.345, 283.345, 666.042 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.944 - 3.233 |
| R-factor | 0.2317 |
| Rwork | 0.232 |
| R-free | 0.23240 |
| 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] | 48.944 | 48.944 | 3.430 |
| High resolution limit [Å] | 3.230 | 9.530 | 3.230 |
| Rmerge | 0.284 | 0.057 | 1.738 |
| Rmeas | 0.332 | 0.067 | 2.043 |
| Total number of observations | 1123399 | ||
| Number of reflections | 312312 | 11941 | 48156 |
| <I/σ(I)> | 4.36 | 18.05 | 0.58 |
| Completeness [%] | 97.9 | 95.9 | 93.6 |
| Redundancy | 3.597 | 3.211 | 3.431 |
| CC(1/2) | 0.984 | 0.995 | 0.235 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 30% MPD, 5 mM DTT, 0.1 M sodium acetate pH 4.6 |
