Making the Most of 3D Electron Diffraction: Best Practices to Handle a New Tool

نویسندگان

چکیده

Along with the adoption of three-dimensional electron diffraction (3D ED/MicroED) as a mainstream tool for structure determination from sub-micron single crystals, questions about best practices regarding each step along workflow, data collection to solutions, arise. In this paper, we discuss three particular aspects 3D ED/MicroED experiment which, after hundreds structures solved in Rigaku’s laboratories, have found be important consider carefully. First, representative model system hydrated compound (trehalose dihydrate), show that cryo-transfer sample into diffractometer is an effective means prevent dehydration, while cooling without yields marginal improvement only. Next, demonstrate small (tyrosine) and large (clarithromycin) organic compound, how simplified fast workflow dynamical calculations can determine absolute crystal high confidence. Finally, considerations trade-offs choosing optimal crystal-to-detector distance; long distance mandatory protein (thaumatin) example, even molecule difficult behavior (cystine) superior results at longer distances than one used by default.

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ژورنال

عنوان ژورنال: Symmetry

سال: 2023

ISSN: ['0865-4824', '2226-1877']

DOI: https://doi.org/10.3390/sym15081555