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Analysis of XFEL serial diffraction data from individual crystalline fibrils

By 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 Frank1, Chun Hong Yoon, Thomas A. White, Saša Bajt, Anna Mitraki, Sebastien Boutet, Andrew Aquila, Anton Barty, V. Trevor Forsyth, Henry Chapman2, Rick P. Millane

1. Lawrence Livermore National Laboratory 2. Center for Free-Electron Laser Science

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Category

BioXFEL Publications

Published on

Type

journal-article

Author

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

Citation

Wojtas, D.H. et al., 2017. Analysis of XFEL serial diffraction data from individual crystalline fibrils. IUCrJ, 4(6), pp.795–811. Available at: http://dx.doi.org/10.1107/s2052252517014324.

Abstract

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.

DOI

http://dx.doi.org/10.1107/s2052252517014324