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Published byBruce Pierce Modified over 9 years ago
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Advancing X-ray Crystallography via Protein Structure Prediction Acknowledgements: Dr. Jingfen Zhang Tran Nguyen Dr. Rajkumar Bondugula Dr. Dong Xu Dr. Jack Tanner NIH grant 2-T15-LM07089-16 Christopher Bottoms University of Missouri-Columbia December 1, 2007
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protein crystal X-ray beam detector Intensities Phases
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Sources of Phase Information Additional Experimental Steps –Modify crystal –Modify protein –Collect additional data Similar Protein Structures –Proteins with 30-100% seq ID –Predicted protein structures
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ALA Initial map calculated from X-ray data and poly-alanine predicted structure. Final map calculated from X-ray data and final structure. TYR 1oot
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Map calculated from X-ray data and all-atom predicted structure Predicted (all atom) 1k33
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Final Final map calculated from X-ray data and final structure. Final 1k33
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Final Predicted (all atom)
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Future Directions Christopher@moleculesoflife.com Improving predictions for larger proteins Utilizing general selection criteria
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