Analysis of XFEL serial diffraction data from individual crystalline fibrils

David H. Wojtas, Kartik Ayyer, Mengning Liang, Estelle Mossou, Filippo Romoli, Carolin Seuring, Kenneth R. Beyerlein, Richard J. Bean, Andrew J. Morgan, Dominik Oberthuer, Holger Fleckenstein, Michael Heymann, Cornelius Gati, Oleksandr Yefanov, Miriam Barthelmess, Eirini Ornithopoulou, Lorenzo Galli, P. Lourdu Xavier, Wai Li Ling, Matthias FrankChun Hong Yoon, Thomas A. White, Saša Bajt, Anna Mitraki, Sebastien Boutet, Andrew Aquila, Anton Barty, V. Trevor Forsyth, Henry N. Chapman, Rick P. Millane

Research output: Contribution to journalArticlepeer-review

14 Scopus citations


Serial diffraction data collected at the Linac Coherent Light Source from crystalline amyloid fibrils delivered in a liquid jet show that the fibrils are well oriented in the jet. At low fibril concentrations, diffraction patterns are recorded from single fibrils; these patterns are weak and contain only a few reflections. Methods are developed for determining the orientation of patterns in reciprocal space and merging them in three dimensions. This allows the individual structure amplitudes to be calculated, thus overcoming the limitations of orientation and cylindrical averaging in conventional fibre diffraction analysis. The advantages of this technique should allow structural studies of fibrous systems in biology that are inaccessible using existing techniques.

Original languageEnglish (US)
Pages (from-to)795-811
Number of pages17
StatePublished - Jan 1 2017
Externally publishedYes


  • amyloid
  • coherent X-ray diffractive imaging (CXDI)
  • crystalline fibrils
  • molecular orientation determination
  • serial crystallography
  • single particles

ASJC Scopus subject areas

  • Chemistry(all)
  • Biochemistry
  • Materials Science(all)
  • Condensed Matter Physics


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