Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.230, 76.430, 137.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.075 - 2.450 |
| Rwork | 0.240 |
| R-free | 0.27340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.634 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.075 | 2.490 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.050 | 1.790 |
| Rmeas | 0.052 | 1.865 |
| Number of reflections | 30234 | 1477 |
| <I/σ(I)> | 25.8 | 1.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.8 | 12.8 |
| CC(1/2) | 1.000 | 0.655 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2.2 M ammonium sulfate, 0.2 M tri-potassium citrate |
