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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.

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Presentation on theme: "Advancing X-ray Crystallography via Protein Structure Prediction Acknowledgements: Dr. Jingfen Zhang Tran Nguyen Dr. Rajkumar Bondugula Dr. Dong Xu Dr."— Presentation transcript:

1 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

2 protein crystal X-ray beam detector Intensities Phases

3 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

4 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

5 Map calculated from X-ray data and all-atom predicted structure Predicted (all atom) 1k33

6 Final Final map calculated from X-ray data and final structure. Final 1k33

7 Final Predicted (all atom)

8 Future Directions Christopher@moleculesoflife.com Improving predictions for larger proteins Utilizing general selection criteria


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