Bayesian analysis of non-thermal structural changes induced by terahertz radiation in protein crystals
Paper in proceedings, 2016

We have periodically (25ms on – 25ms off) illuminated lysozyme crystals with 0.4 THz radiation and simultaneously monitored their X-ray diffraction intensity in order to study non-thermal structural changes in the protein. In this work we analyze the X-ray scaled and unmerged diffraction intensity observations using a multivariate Bayesian model in order to improve the accuracy of the intensity estimates. The diffraction intensity pairs of the illuminated and non-illuminated state show a predominantly positive correlation. The correlation decreases with increasing resolution suggesting that finer slicing and faster sampling of the rocking curve may further improve the accuracy and effect size of structure factor amplitude differences, making the interpretation of structural changes more straightforward. The improved analysis retains the most important structural features described previously (in helix 3) and provide addition details about the B-factor changes close to the substrate binding site.

Author

Gergely Katona

University of Gothenburg

Ida Lundholm

University of Gothenburg

Helena Rodilla

Chalmers, Microtechnology and Nanoscience (MC2), Terahertz and Millimetre Wave Laboratory

Maria-Jose Garcia-Bonete

University of Gothenburg

Annette Duelli

University of Gothenburg

Weixiao Yuan Wahlgren

University of Gothenburg

Gleb Bourenkov

European Molecular Biology Laboratory Hamburg

Josip Vukusic

Chalmers, Microtechnology and Nanoscience (MC2), Terahertz and Millimetre Wave Laboratory

Ran Friedman

Linnaeus University, Kalmar

Thomas Schneider

European Molecular Biology Laboratory Hamburg

Jan Stake

Chalmers, Microtechnology and Nanoscience (MC2), Terahertz and Millimetre Wave Laboratory

International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz

21622027 (ISSN) 21622035 (eISSN)

Article no 7758457- 7758457

Areas of Advance

Information and Communication Technology

Life Science Engineering (2010-2018)

Infrastructure

Kollberg Laboratory

Subject Categories

Biological Sciences

DOI

10.1109/IRMMW-THz.2016.7758457

ISBN

978-1-4673-8485-8

More information

Created

10/7/2017