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Optimizing x-ray structure determination

Optimizing x-ray structure determination. James Holton LBNL/UCSF April 6, 2006. George Meigs. Acknowledgments. Jane Tanamachi. Beamline 8.3.1 staff. Optimizing structure determination. Optimizing structure determination. How many are we solving?. Optimizing structure determination.

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Optimizing x-ray structure determination

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  1. Optimizing x-ray structure determination James Holton LBNL/UCSFApril 6, 2006

  2. George Meigs Acknowledgments Jane Tanamachi Beamline 8.3.1 staff

  3. Optimizing structure determination

  4. Optimizing structure determination How many are we solving?

  5. Optimizing structure determination How many are we solving? What is the limit?

  6. Optimizing structure determination How many are we solving? What is the limit? Are we there yet?

  7. Optimizing structure determination How many are we solving? What is the limit? Are we there yet? Why not?

  8. Optimizing structure determination How many are we solving? What is the limit? Are we there yet? Why not? What are the biggest problems?

  9. Optimizing structure determination How many are we solving? What is the limit? Are we there yet? Why not? What are the biggest problems?

  10. How many are we solving?

  11. How many are we solving? http://asdp.bnl.gov/asda/Libraries/pdb_statis/latest/bml/ALL.html

  12. How many are we solving? http://asdp.bnl.gov/asda/Libraries/pdb_statis/latest/bml/ALL.html Jiang & R.M. Sweet (2004)

  13. How many are we solving? http://asdp.bnl.gov/asda/Libraries/pdb_statis/latest/bml/ALS.html

  14. How many are we solving? http://asdp.bnl.gov/asda/Libraries/pdb_statis/latest/bml/ALS.html

  15. How many are we solving? http://asdp.bnl.gov/asda/Libraries/pdb_statis/latest/bml/ALS.html

  16. Breaking it down

  17. Breaking it down $$ → photons

  18. Breaking it down $$ → photons photons → data

  19. Breaking it down $$ → photons photons → data data → models

  20. Breaking it down $$ → photons photons → data data → models models → results

  21. Breaking it down $$ → photons photons → data data → models models → results results → $$

  22. Breaking it down $$ → photons photons → data data → models models → results results → $$

  23. Breaking it down $$ → photons 2x1011 photons/s ÷ $600,000/year 6x1012 photons/dollar

  24. Breaking it down $$ → photons photons → data data → models models → results results → $$

  25. Breaking it down $$ → photons photons → data data → models models → results results → $$

  26. Operational Efficiency “representative” 8.3.1 user

  27. Operational Efficiency “representative” 8.3.1 user

  28. Operational Efficiency “representative” 8.3.1 user

  29. Operational Efficiency “representative” 8.3.1 user

  30. Operational Efficiency “representative” 8.3.1 user

  31. Operational Efficiency “representative” 8.3.1 user

  32. Operational Efficiency “representative” 8.3.1 user

  33. Operational Efficiency “representative” 8.3.1 user

  34. Operational Efficiency “representative” 8.3.1 user

  35. Operational Efficiency “representative” 8.3.1 user

  36. Operational Efficiency “representative” 8.3.1 user

  37. Operational Efficiency “representative” 8.3.1 user

  38. Operational Efficiency “representative” 8.3.1 user

  39. Operational Efficiency “representative” 8.3.1 user

  40. Operational Efficiency “representative” 8.3.1 user

  41. Operational Efficiency “representative” 8.3.1 user

  42. Operational Efficiency “representative” 8.3.1 user

  43. Operational Efficiency “representative” 8.3.1 user

  44. Operational Efficiency “representative” 8.3.1 user

  45. Operational Efficiency “representative” 8.3.1 user

  46. Breaking it down $$ → photons photons → data data → models models → results results → $$

  47. Breaking it down $$ → photons photons → data data → models models → results results → $$

  48. Turning data into models

  49. Turning data into models 8.3.1 in 2003

  50. Turning data into models 8.3.1 in 2003

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