Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-13 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 61 |
| Unit cell lengths | 90.895, 90.895, 101.438 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.509 - 2.001 |
| Rwork | 0.204 |
| R-free | 0.25060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3io5 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.605 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.450 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.092 | 1.723 |
| Rmeas | 0.098 | |
| Rpim | 0.043 | |
| Number of reflections | 32113 | 4622 |
| <I/σ(I)> | 10.4 | 0.95 |
| Completeness [%] | 99.7 | 98.2 |
| Redundancy | 9.9 | 4.9 |
| CC(1/2) | 0.999 | 0.450 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100mM MES pH 6.5 1.6M ammonium sulphate 6% 1,4-Dioxane |
