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 | 2019-12-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 1 |
| Unit cell lengths | 35.871, 47.993, 48.246 |
| Unit cell angles | 82.61, 76.37, 85.98 |
Refinement procedure
| Resolution | 47.554 - 1.500 |
| Rwork | 0.166 |
| R-free | 0.19180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5aho |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.212 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.554 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 46964 | 1593 |
| <I/σ(I)> | 13.4 | |
| Completeness [%] | 94.7 | |
| Redundancy | 3.6 | |
| CC(1/2) | 0.998 | 0.650 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 20% PEG 3350 0.3 M Ammonium Chloride |
