Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-16 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.650, 45.250, 58.000 |
| Unit cell angles | 90.00, 96.05, 90.00 |
Refinement procedure
| Resolution | 47.430 - 1.770 |
| Rwork | 0.210 |
| R-free | 0.25210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.654 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.430 | 1.810 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.118 | 1.295 |
| Rmeas | 0.142 | |
| Rpim | 0.077 | 0.985 |
| Number of reflections | 24095 | 1360 |
| <I/σ(I)> | 7 | 0.7 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 3.2 | 2.7 |
| CC(1/2) | 0.994 | 0.338 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20 %v/v 2-Propanol 13 %w/v PEG 4K 0.1 M HEPES pH 8 |
