Integrated Controlling System and Unified Database for High Throughput Protein Crystallography Experiments

An integrated controlling system and a unified database for high throughput protein crystallography experiments have been developed. Main features of protein crystallography experiments (purification, crystallization, crystal harvesting, data collection, data processing) were integrated into the sof...

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Bibliographic Details
Main Authors: Gaponov, Yu A, Igarashi, N, Hiraki, M, Sasajima, K, Matsugaki, N, Suzuki, M, Kosuge, T, Wakatsuki, S
Format: Conference Proceeding
Language:English
Subjects:
COMPUTER CODES
CONTROL SYSTEMS
CRYSTALLIZATION
CRYSTALLOGRAPHY
CRYSTALS
DATA ACQUISITION
DATA BASE MANAGEMENT
DATA PROCESSING
DATA TRANSMISSION
EXPERIMENTAL DATA
GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE
INFORMATION DISSEMINATION
INFORMATION RETRIEVAL
INTERNET
KEK PHOTON FACTORY
PROTEINS
REMOTE CONTROL
SYNCHROTRON RADIATION
X-RAY DIFFRACTION
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Summary:An integrated controlling system and a unified database for high throughput protein crystallography experiments have been developed. Main features of protein crystallography experiments (purification, crystallization, crystal harvesting, data collection, data processing) were integrated into the software under development. All information necessary to perform protein crystallography experiments is stored (except raw X-ray data that are stored in a central data server) in a MySQL relational database. The database contains four mutually linked hierarchical trees describing protein crystals, data collection of protein crystal and experimental data processing. A database editor was designed and developed. The editor supports basic database functions to view, create, modify and delete user records in the database. Two search engines were realized: direct search of necessary information in the database and object oriented search. The system is based on TCP/IP secure UNIX sockets with four predefined sending and receiving behaviors, which support communications between all connected servers and clients with remote control functions (creating and modifying data for experimental conditions, data acquisition, viewing experimental data, and performing data processing). Two secure login schemes were designed and developed: a direct method (using the developed Linux clients with secure connection) and an indirect method (using the secure SSL connection using secure X11 support from any operating system with X-terminal and SSH support). A part of the system has been implemented on a new MAD beam line, NW12, at the Photon Factory Advanced Ring for general user experiments.
ISSN:0094-243X
1551-7616
DOI:10.1063/1.1758018