Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-01-27 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 |
| Unit cell lengths | 69.860, 113.430, 186.320 |
| Unit cell angles | 83.97, 82.09, 76.93 |
Refinement procedure
| Resolution | 66.083 - 1.940 |
| Rwork | 0.212 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5n4c |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.367 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.083 | 1.970 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.075 | 0.938 |
| Rmeas | 0.095 | 1.195 |
| Number of reflections | 397483 | 29123 |
| <I/σ(I)> | 7.3 | 0.9 |
| Completeness [%] | 97.6 | 96.6 |
| Redundancy | 2.5 | 2.4 |
| CC(1/2) | 1.000 | 0.352 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M sodium acetate, 0.1 M Bis-Tris propane (pH 6.0-6.5) and 28% PEG 3350 |
