Trailblzing visualization of proton transfer by neutron structure analysis

2015 Fiscal Year Final Research Report

• Project/Area Number: 24510118
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Research Field: Quantum beam science
• Research Institution: Ibaraki University
• Principal Investigator: KUSAKA KATSUHIRO 茨城大学, フロンティア応用原子科学研究センター, 教授 (10414591)
• Project Period (FY): 2012-04-01 – 2016-03-31
• Keywords: 中性子結晶構造解析

Outline of Final Research Achievements

In this study, I developed new data reduction method in order to obtain unique and trailblazing information of proton positions in protein structures. I have succeeded two integration method (optimization method of TOF binning and optimization method of 3-dimensional region of diffraction spot for the improvement of accuracy of the TOF diffraction data. I tried to apply these method to the TOF diffraction data set measured by IBARAKI biological crystal diffractometer. In comparison to the results by old method, data statistic and reliability of the structure model were improved. It was demonstrated that these method was useful. From the result of the structure analysis with the data obtained by new method, I could observed protonation states of active site and a water molecule with D atom which is hydrogen bonded to active site. It is assumed that the water contribute to reaction mechanism.

Free Research Field

中性子構造生物学