Raw 3DED/MicroED data associated with "Integrating Ion Mobility–Resolved Tandem Mass Spectrometry and Microcrystal Electron Diffraction for Structural Elucidation"

MicroED data: continuous rotation data sets in LZW compressed tif format were collected on a JEOL CryoARM300 ( operated at 200 kv) equipped with a K2 summit direct electron detector using SerialEM. Datasets were collected from 5 different crystals (4 used for final structure elucidation and refinement). Each dataset was collected with an approximate flux of 0.008 e-/ Å^2/s-1, giving a final total fluence of 3 e-/Å^2 for a 90-degree wedge of data. Datasets were converted to MRC format and binned by a factor of 2 in x and y, and 4 in z, using the included Python script (tiff2MRC_v3.py). All datasets were processed in DIALS, and an example bash script is provided in each folder where datasets were collected under the same conditions. Experimental parameters are as follows: Accelerating voltage: 200 kV Wavelength: 0.025079 Camera length: 286 mm ( Exposure time: 1 s Rotation speed: 0.25 degrees/s Rotation: 90 degrees Detector area: 1919 x 1855 (Bin 2) Pixel size: 0.01 mm Spot size: 7 Angle: 5 C2 aperture: 40 µm SA aperture: 100 µm (2 µm at the sample) Energy filter slit width: 30 ev (where inserted)