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Crystals 2017, 7(7), 220; doi:10.3390/cryst7070220

Analysis of Diffracted Intensities from Finite Protein Crystals with Incomplete Unit Cells

1
ARC Centre of Excellence in Advanced Molecular Imaging, School of Physics, University of Melbourne, Parkville, Victoria 3010, Australia
2
School of Physics, University of Melbourne, Parkville, Victoria 3010, Australia
*
Author to whom correspondence should be addressed.
Academic Editor: Rocco Caliandro
Received: 31 May 2017 / Revised: 7 July 2017 / Accepted: 8 July 2017 / Published: 14 July 2017
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Abstract

Developments in experimental techniques in micro electron diffraction and serial X-ray crystallography provide the opportunity to collect diffraction data from protein nanocrystals. Incomplete unit cells on the surfaces of protein crystals can affect the distribution of diffracted intensities for crystals with very high surface-to-volume ratios. The extraction of structure factors from diffraction data for such finite protein crystals sizes is considered here. A theoretical model for the continuous diffracted intensity distribution for data merged from finite crystals with two symmetry-related sub-units of the conventional unit cell is presented. This is used to extend a whole-pattern fitting technique to account for incomplete unit cells in the extraction of structure factor amplitudes. The accuracy of structure factor amplitudes found from this whole-pattern fitting technique and from an integration approach are evaluated. View Full-Text
Keywords: finite protein crystals; incomplete unit cells; structure factor amplitudes; micro electron diffraction; serial X-ray crystallography; XFELs; whole-pattern fitting finite protein crystals; incomplete unit cells; structure factor amplitudes; micro electron diffraction; serial X-ray crystallography; XFELs; whole-pattern fitting
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Williams, S.R.; Dilanian, R.A.; Quiney, H.M.; Martin, A.V. Analysis of Diffracted Intensities from Finite Protein Crystals with Incomplete Unit Cells. Crystals 2017, 7, 220.

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