Indexing amyloid peptide diffraction from serial femtosecond crystallography: New algorithms for sparse patterns

Brewster, Aaron S.; Sawaya, Michael R.; Rodriguez, Jose; Hattne, Johan; Echols, Nathaniel; McFarlane, Heather T.; Cascio, Duilio; Adams, Paul D.; Eisenberg, David S.; Sauter, Nicholas K.

doi:10.1107/S1399004714026145

Title: Indexing amyloid peptide diffraction from serial femtosecond crystallography: New algorithms for sparse patterns

Journal Article · Fri Jan 23 00:00:00 EST 2015 · Acta Crystallographica. Section D: Biological Crystallography (Online)

DOI:https://doi.org/10.1107/S1399004714026145· OSTI ID:1190539

Brewster, Aaron S. ^[1]; Sawaya, Michael R. ^[2]; Rodriguez, Jose ^[2]; Hattne, Johan ^[1]; Echols, Nathaniel ^[1]; McFarlane, Heather T. ^[2]; Cascio, Duilio ^[2]; Adams, Paul D. ^[3]; Eisenberg, David S. ^[2]; Sauter, Nicholas K. ^[1]

Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Physical Biosciences Division.
Univ. of California, Los Angeles, CA (United States)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Los Angeles, CA (United States)

Still diffraction patterns from peptide nanocrystals with small unit cells are challenging to index using conventional methods owing to the limited number of spots and the lack of crystal orientation information for individual images. New indexing algorithms have been developed as part of theComputational Crystallography Toolbox(cctbx) to overcome these challenges. Accurate unit-cell information derived from an aggregate data set from thousands of diffraction patterns can be used to determine a crystal orientation matrix for individual images with as few as five reflections. These algorithms are potentially applicable not only to amyloid peptides but also to any set of diffraction patterns with sparse properties, such as low-resolution virus structures or high-throughput screening of still images captured by raster-scanning at synchrotron sources. As a proof of concept for this technique, successful integration of X-ray free-electron laser (XFEL) data to 2.5 Å resolution for the amyloid segment GNNQQNY from the Sup35 yeast prion is presented.

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Research Organization:: SLAC National Accelerator Lab., Menlo Park, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC02-05CH11231; FC02-02ER63421

OSTI ID:: 1190539

Journal Information:: Acta Crystallographica. Section D: Biological Crystallography (Online), Vol. 71, Issue 2; ISSN 1399-0047

Publisher:: International Union of CrystallographyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 10 works

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