Phase retrieval in nanocrystallography

Joe P J Chen, John Spence, Rick P. Millane

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Protein X-ray crystallography is a method for determining the three-dimensional structures of large biological molecules by analysing the amplitudes of X-rays scattered from a crystalline specimen of the molecule under study. Conventional structure determination in protein crystallography requires chemical modification to the sample and collection of additional data in order to solve the corresponding phase problem. There is an urgent need for a direct (digital) low-resolution phasing method that does not require modified specimens. Whereas diffraction from large crystals corresponds to samples (so-called Bragg samples) of the amplitude of the Fourier transform of the scattering density, the diffraction from very small crystals allows measurement of the diffraction amplitude between the Bragg samples. Although highly attenuated, these additional measurements offer the possibility of iterative phase retrieval without the use of ancillary experimental data. In this study we examine the noise characteristics of small-crystal diffraction and propose a data selection strategy to improve the quality of reconstructions using iterative phase retrieval algorithms. Simulation results verify that a higher noise level can be tolerated by using such a data selection strategy.

Original languageEnglish (US)
Title of host publicationProceedings of SPIE - The International Society for Optical Engineering
Volume8500
DOIs
StatePublished - 2012
EventImage Reconstruction from Incomplete Data VII - San Diego, CA, United States
Duration: Aug 14 2012Aug 15 2012

Other

OtherImage Reconstruction from Incomplete Data VII
CountryUnited States
CitySan Diego, CA
Period8/14/128/15/12

Fingerprint

Phase Retrieval
retrieval
Diffraction
Crystal
diffraction
Crystals
crystallography
Molecules
crystals
proteins
Proteins
Protein
Crystallography
X ray crystallography
Chemical modification
molecules
Fourier transform
Fourier transforms
x rays
Scattering

Keywords

  • Nanocrystallography
  • Phase retrieval
  • Selective sampling
  • Shape transform
  • X-ray free-electron laser

ASJC Scopus subject areas

  • Applied Mathematics
  • Computer Science Applications
  • Electrical and Electronic Engineering
  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Chen, J. P. J., Spence, J., & Millane, R. P. (2012). Phase retrieval in nanocrystallography. In Proceedings of SPIE - The International Society for Optical Engineering (Vol. 8500). [85000I] https://doi.org/10.1117/12.930930

Phase retrieval in nanocrystallography. / Chen, Joe P J; Spence, John; Millane, Rick P.

Proceedings of SPIE - The International Society for Optical Engineering. Vol. 8500 2012. 85000I.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Chen, JPJ, Spence, J & Millane, RP 2012, Phase retrieval in nanocrystallography. in Proceedings of SPIE - The International Society for Optical Engineering. vol. 8500, 85000I, Image Reconstruction from Incomplete Data VII, San Diego, CA, United States, 8/14/12. https://doi.org/10.1117/12.930930
Chen JPJ, Spence J, Millane RP. Phase retrieval in nanocrystallography. In Proceedings of SPIE - The International Society for Optical Engineering. Vol. 8500. 2012. 85000I https://doi.org/10.1117/12.930930
Chen, Joe P J ; Spence, John ; Millane, Rick P. / Phase retrieval in nanocrystallography. Proceedings of SPIE - The International Society for Optical Engineering. Vol. 8500 2012.
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