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 | P 21 21 21 |
| Unit cell lengths | 278.090, 390.209, 554.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 62.205 - 3.196 |
| R-factor | 0.2611 |
| Rwork | 0.261 |
| R-free | 0.26640 |
| 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] | 62.205 | 62.205 | 3.370 |
| High resolution limit [Å] | 3.196 | 10.110 | 3.200 |
| Rmerge | 0.672 | 0.093 | 1.727 |
| Rmeas | 0.731 | 0.102 | 1.894 |
| Rpim | 0.285 | 0.040 | 0.764 |
| Total number of observations | 197738 | 812124 | |
| Number of reflections | 970502 | 31514 | 138209 |
| <I/σ(I)> | 3.3 | 11.1 | 1.1 |
| Completeness [%] | 98.8 | 97.7 | 97 |
| Redundancy | 6.3 | 6.3 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 46% MPD, 0.1 M ammonium nitrate, 0.1 M MES pH 6.5 |
