Unit-cell Determination from Randomly Oriented Electron-diffraction Patterns
Overview
Affiliations
Unit-cell determination is the first step towards the structure solution of an unknown crystal form. Standard procedures for unit-cell determination cannot cope with data collections that consist of single diffraction patterns of multiple crystals, each with an unknown orientation. However, for beam-sensitive nanocrystals these are often the only data that can be obtained. An algorithm for unit-cell determination that uses randomly oriented electron-diffraction patterns with unknown angular relationships is presented here. The algorithm determined the unit cells of mineral, pharmaceutical and protein nanocrystals in orthorhombic high- and low-symmetry space groups, allowing (well oriented) patterns to be indexed.
Unit-cell parameters determination from a set of independent electron diffraction zonal patterns.
Gorelik T, Miehe G, Bucker R, Yoshida K Acta Crystallogr A Found Adv. 2025; 81(Pt 2):124-136.
PMID: 39886756 PMC: 11873814. DOI: 10.1107/S2053273325000300.
Serial Electron Diffraction Data Processing With diffractem and CrystFEL.
Bucker R, Hogan-Lamarre P, Miller R Front Mol Biosci. 2021; 8:624264.
PMID: 34095217 PMC: 8171297. DOI: 10.3389/fmolb.2021.624264.
Serial protein crystallography in an electron microscope.
Bucker R, Hogan-Lamarre P, Mehrabi P, Schulz E, Bultema L, Gevorkov Y Nat Commun. 2020; 11(1):996.
PMID: 32081905 PMC: 7035385. DOI: 10.1038/s41467-020-14793-0.
MicroED methodology and development.
Nannenga B Struct Dyn. 2020; 7(1):014304.
PMID: 32071929 PMC: 7018523. DOI: 10.1063/1.5128226.
The cryo-EM method microcrystal electron diffraction (MicroED).
Nannenga B, Gonen T Nat Methods. 2019; 16(5):369-379.
PMID: 31040436 PMC: 6568260. DOI: 10.1038/s41592-019-0395-x.