issue contents

Journal logoBIOLOGICAL
ISSN: 1399-0047

November 2002 issue

High-throughput structure determination

Proceedings of the CCP4 study weekend

Highlighted illustration

Cover illustration: Tools for enabling high-throughput structural biology at the Henry Wellcome Building for Genomic Medicine and Oxford Protein Production Facility: top-left, PCR machines; top-right, chromatography columns; bottom-left, nanolitre despenser for crystallization trials; bottom-right, data storage/archival robot.

research papers

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The use of the SUPERFAMILY hidden Markov model library in structural genomics is discussed. Target selection is addressed as well as its use for more general inquiry.

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Progress in the development of nanocrystallography is discussed and the remaining bottlenecks are highlighted.

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A method for the classification of images from crystallization experiments is described.

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A system for the automatic classification of images from crystallization trials for use in conjunction with a high-throughput robotic crystallization platform is described.

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Fully automated data collection and processing would greatly enhance the efficiency of third-generation synchrotron beamlines. A scheme for achieving this goal in a cost-effective and generic way is outlined.

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An overview of the activities of the Collaborative Computational Project Number 4 in protein crystallography is presented.

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A procedure for fully automatic structure solution and initial model building is described

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ACORN facilitates ab initio phasing for protein structures with atomic resolution data. Dynamic density modification and real-space Sayre equation refinement are presented.

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A new project to develop an open-source molecular-graphics package is described.

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SAD phasing may often be successful in cases intended for MAD, leading to structure solution before the second MAD-wavelength data collection is finished. The background of SAD phasing is presented using various vector diagrams.

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For high-throughput structure determination to have a transforming impact on drug discovery, a whole integrated system of information management, experimental design, quality control, reproducibility checks and in-depth structure analysis needs to be put in place. This is being performed by SGX.
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