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 | I 2 3 |
| Unit cell lengths | 559.310, 559.310, 559.310 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.765 - 3.300 |
| R-factor | 0.2313 |
| Rwork | 0.231 |
| R-free | 0.23310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ms2 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | FFT |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 61.766 | 61.766 | 3.480 |
| High resolution limit [Å] | 3.300 | 10.440 | 3.300 |
| Rmerge | 0.119 | 2.890 | |
| Rmeas | 0.721 | 0.123 | 2.971 |
| Rpim | 0.165 | 0.029 | 0.687 |
| Total number of observations | 8135712 | 255403 | 1163480 |
| Number of reflections | 430490 | 13941 | 62656 |
| <I/σ(I)> | 4.6 | 16.2 | 1.1 |
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 18.9 | 18.3 | 18.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 22% MPD, 0.1 M sodium nitrate, 0.1 M sodium acetate pH 4.6 |
