微小結晶を用いたタンパク質X線結晶構造解析におけるデータ処理システムの開発

山下 恵太郎

doi:10.5940/jcrsj.60.104

微小結晶を用いたタンパク質X線結晶構造解析におけるデータ処理システムの開発

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山下恵太郎

国立研究開発法人理化学研究所放射光科学研究センター

書誌事項

タイトル別名

Development of X-ray Data Processing System for Protein Microcrystals
学会賞受賞論文微小結晶を用いたタンパク質X線結晶構造解析におけるデータ処理システムの開発
ガッカイショウジュショウロンブンビショウケッショウオモチイタタンパクシツ Xセンケッショウコウゾウカイセキニオケルデータショリシステムノカイハツ

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説明

<p>The bottleneck in protein structure determination by X-ray crystallography is to obtain protein crystals with suitable size and sufficient diffracting power, and sometimes only microcrystals can be obtained. For such microcrystals, the use of X-ray microbeams is essential to collect diffraction data at high S/N ratio. However, radiation damage hampers complete and high-resolution data collection from a single microcrystal, and therefore multiple crystals are required. At microbeam beamline BL32XU, SPring-8, the workflow for protein microcrystals is established and automated. One of the key programs is SHIKA, which suggests microcrystal positions by finding diffraction spots from low-dose raster scan. Automatically collected datasets are processed and merged by KAMO, a new open-source data processing pipeline for automating the whole data processing tasks in the case of multiple datasets. These developments greatly facilitated the structure analyses from microcrystals.</p>