Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976300 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 78.599, 71.421, 92.174 |
| Unit cell angles | 90.00, 113.06, 90.00 |
Refinement procedure
| Resolution | 84.808 - 1.850 |
| Rwork | 0.195 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wvr |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.850 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.810 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.044 | 0.874 |
| Rmeas | 0.051 | 1.011 |
| Rpim | 0.026 | 0.501 |
| Number of reflections | 39662 | 2418 |
| <I/σ(I)> | 12.8 | |
| Completeness [%] | 99.0 | 97.4 |
| Redundancy | 3.8 | |
| CC(1/2) | 1.000 | 0.700 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 292 | Glycerol, calcium acetate, PEG 8000, HEPES |
