Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-01-15 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.943, 81.191, 134.468 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.651 - 1.600 |
| Rwork | 0.192 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l6b |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.326 |
| Data reduction software | DIALS |
| Data scaling software | pointless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.100 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.069 | 0.577 |
| Rmeas | 0.079 | 0.705 |
| Number of reflections | 76688 | 3151 |
| <I/σ(I)> | 9.2 | 1.3 |
| Completeness [%] | 97.5 | 81 |
| Redundancy | 4 | 2.5 |
| CC(1/2) | 0.999 | 0.512 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% PEG 3350 230 mM sodium malonate 15 mM magnesium chloride |
