TAILIEUCHUNG - Báo cáo khoa học: Protein crystallography for non-crystallographers, or how to get the best (but not more) from published macromolecular structures

The number of macromolecular structures deposited in the Protein Data Bank now exceeds 45 000, with the vast majority determined using crystal-lographic methods. Thousands of studies describing such structures have been published in the scientific literature, and 14 Nobel prizes in chemistry or medicine have been awarded to protein crystallographers. | IFEBS Journal REVIEW ARTICLE Protein crystallography for non-crystallographers or how to get the best but not more from published macromolecular structures Alexander Wlodawer1 Wladek Minor2 3 Zbigniew Dauter4 and Mariusz Jaskolski5 6 1 Macromolecular Crystallography Laboratory NCI Frederick MD USA 2 Department of Molecular Physiology and BiologicalPhysics University of Virginia Charlottesville VA USA 3 Midwest Center for StructuralGenomics USA 4 Macromolecular Crystallography Laboratory NCI Argonne NationalLaboratory IL USA 5 Department of Crystallography Adam Mickiewicz University Poznan Poland 6 Center for Biocrystallographic Research Institute of Bioorganic Chemistry Polish Academy of Sciences Poznan Poland Keywords protein crystallography Protein Data Bank restraints resolution R-factor structure determination structure interpretation structure quality structure refinement structure validation Correspondence A. Wlodawer Protein Structure Section Macromolecular Crystallography Laboratory NCI at Frederick Frederick MD 21702 USA Fax 1 301 846 6322 Tel 1 301 846 5036 E-mail wlodawer@ Received 1 October 2007 revised 1 November 2007 accepted 5 November 2007 The number of macromolecular structures deposited in the Protein Data Bank now exceeds 45 000 with the vast majority determined using crystallographic methods. Thousands of studies describing such structures have been published in the scientific literature and 14 Nobel prizes in chemistry or medicine have been awarded to protein crystallographers. As important as these structures are for understanding the processes that take place in living organisms and also for practical applications such as drug design many non-crystallographers still have problems with critical evaluation of the structural literature data. This review attempts to provide a brief outline of technical aspects of crystallography and to explain the meaning of some parameters that should be evaluated by users of macromolecular structures

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