Advancing X-ray Crystallography via Protein Structure Prediction Acknowledgements: Dr. Jingfen Zhang...
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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-LM07089-1 Christopher Bottoms University of Missouri- Columbia December 1, 2007
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Transcript of Advancing X-ray Crystallography via Protein Structure Prediction Acknowledgements: Dr. Jingfen Zhang...
Advancing X-ray Crystallography via Protein
Structure Prediction
Acknowledgements:Dr. Jingfen ZhangTran NguyenDr. Rajkumar BondugulaDr. Dong XuDr. Jack TannerNIH grant 2-T15-LM07089-16
Christopher BottomsUniversity of Missouri-Columbia
December 1, 2007
proteincrystal
X-ray beam
det
ecto
r
Intensities
Phases
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
ALAInitial map calculated from X-ray data and poly-alanine predicted structure.
Final map calculated from X-ray data and final structure.
TYR
1oot
Map calculated from X-ray data and all-atom predicted structure
Predicted(all atom)
1k33
Final
Final map calculated from X-ray data and final structure.
Final
1k33
1k33
Final
Predicted(all atom)
Future Directions
• Improving predictions for larger proteins
• Utilizing general selection criteria
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