Published May 5, 2021 | Version v1
Dataset Open

Paracetamol (Acetaminophen) Electron Diffraction (MicroED) Datasets - Glacios TEM with a CETA-D

Description

Electron diffraction datasets collected from nanometer sized crystals of paracetamol (acetaminophen, isolated from Tylenol® using hot acetone and filtration) applied to an electron microscopy grid covered in a pure carbon film. Data were collected using a Thermo Fisher Scientific Glacios Transmission Electron Microscope operated at 200 kV and -193 C using the software package Leginon (Cheng, et. al. 2021). The beam diameter is ~600 nm and the total dose is ~3.2e-/A^2. The crystals were continuously rotated and diffraction data was collected with a CETA-D camera in rolling shutter mode. Data have 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 a suggested pedestal value. An image of the crystal before centering on the small green dot is also included. Data from four crystals are provided along with data reduction results. If processing in DIALS, you will first want to install the proper format class: 

dxtbx.install_format -u https://raw.githubusercontent.com/dials/dxtbx_ED_formats/master/FormatSMVCetaD_TUI.py

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Additional details

Related works

Is cited by
Journal article: 10.3389/fmolb.2021.648603 (DOI)
Dataset: 10.5517/ccdc.csd.cc27zbf0 (DOI)

References

  • Bruhn, J.F. et al. (2021). mall Molecule Microcrystal Electron Diffraction (MicroED) for the Pharmaceutical Industry – Lessons Learned from Examining Over Fifty Samples. Front. Mol. Biosci. | doi: 10.3389/fmolb.2021.648603