Electron Diffraction (MicroED) Datasets for Ipragliflozin L-Proline (Glacios TEM with a CETA-D)

<p>Electron diffraction datasets collected from ipragliflozin L-proline,&nbsp;a chiral pharmaceutical cocrystal.</p> <p>&nbsp;</p> <p>Microscope: Thermo Fisher Scientific Glacios Transmission Electron Microscope (SDC1G at NanoImaging Services)</p> <p>Camera: Ceta-D camera (bin 2x2, rolling shutter, noise reduction mode)</p> <p>Collection Software: Leginon (Cheng, et. al. 2021)*</p> <p>Collection Parameters: 200keV, -193C, 20um C2, gun lens 7.1, spot size 10, parallel beam, calibrated camera length 1065.7mm (1100 in UI), oscillation per frame 0.89deg, 222ms exposure time, tilt speed 4 deg/s, rotation -60 to +60 (first ~8 degrees not recorded)</p> <p>Grid: Ted Pella 01840</p> <p>Sample: Ipragliflozin (C₂₁H₂₁FO₅S,&nbsp;(2S,3R,4R,5S,6R)-2-{3-[(1-benzothiophen-2-yl)methyl]-4-fluorophenyl}-6-(hydroxymethyl)oxane-3,4,5-triol) and L-proline (C₅H₉NO_2,&nbsp;(2S)-pyrrolidine-2-carboxylic acid)</p> <p>Structure: CCDC 2174023</p> <p>&nbsp;</p> <p>* Data have&nbsp;been converted to SMV format with the addition of an offset value to remove negative pixel values. This offset value can be found in the image headers, along with&nbsp;a suggested pedestal value.</p> <p>&nbsp;</p> <p>A data processing&nbsp;tutorial is available for processing data collected with this setup using DIALS:&nbsp;</p> <p><a href="https://dials.github.io/documentation/tutorials/3DED/Biotin.html">https://dials.github.io/documentation/tutorials/3DED/Biotin.html</a></p> <p>&nbsp;</p> <p>Funding:&nbsp;NIH/NIGMS grant number 1R44GM140666</p>