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Advancing X-ray Crystallography via Protein Structure Prediction

Advancing X-ray Crystallography via Protein Structure Prediction. Christopher Bottoms University of Missouri-Columbia December 1, 2007. Acknowledgements: Dr. Jingfen Zhang Tran Nguyen Dr. Rajkumar Bondugula Dr. Dong Xu Dr. Jack Tanner NIH grant 2-T15-LM07089-16. Intensities. Phases.

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Advancing X-ray Crystallography via Protein Structure Prediction

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  1. Advancing X-ray Crystallography via Protein Structure Prediction Christopher Bottoms University of Missouri-Columbia December 1, 2007 Acknowledgements: Dr. Jingfen Zhang Tran Nguyen Dr. Rajkumar Bondugula Dr. Dong Xu Dr. Jack Tanner NIH grant 2-T15-LM07089-16

  2. Intensities Phases protein crystal detector X-ray beam

  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. Final map calculated from X-ray data and final structure. Initial map calculated from X-ray data and poly-alanine predicted structure. TYR ALA 1oot

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

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

  7. Predicted (all atom) Final 1k33

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

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