Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-02 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.972420 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.811, 112.616, 78.054 |
| Unit cell angles | 90.00, 119.43, 90.00 |
Refinement procedure
| Resolution | 43.401 - 2.772 |
| Rwork | 0.211 |
| R-free | 0.28460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1u1s |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.365 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MoRDa |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.920 |
| High resolution limit [Å] | 2.770 | 2.770 |
| Rmerge | 0.077 | 1.269 |
| Rmeas | 0.100 | 1.611 |
| Rpim | 0.069 | 1.134 |
| Number of reflections | 14459 | 1895 |
| <I/σ(I)> | 6.9 | 0.8 |
| Completeness [%] | 97.8 | 87.3 |
| Redundancy | 3.7 | 3.5 |
| CC(1/2) | 0.998 | 0.584 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 5% PEG 400, 50 mM PIPES 7.0, 30 mM MgCl2 |
