1. Elven Automation Elves examine images and set-up data processing Elves run… mosflm scala solve mlphare dm arp/warp Holton and Alber PNAS USA 101 1537-42 (2004)

2. Center for Structures of Membrane Proteins © 2006 Elven Automation Holton and Alber PNAS USA 101 1537-42 (2004) Elves examine images and set-up data processing Elves run… mosflm scala solve mlphare dm arp/warp

3. 35 operating US beamlines ~10 11 ph/μm 2 exposure limit ÷ 2x10 9 ph/μm 2 /s ~ 100,000 datasets/year ÷ 1324 str in 2003 ~ 2% efficient Turning Data into Models

4. Center for Structures of Membrane Proteins © 2006 Turning Data into Models 35 operating US beamlines ~10 11 ph/μm 2 exposure limit ÷ 2x10 9 ph/μm 2 /s ~ 100,000 datasets/year ÷ 1324 str in 2003 ~ 2% efficient

5. NumberDescriptionPercent 446028Images (~7 TB)33% 2346Data sets47% 449MAD/SAD (1:2)19% 104Published4.4% 8.3.1 in 2003 Turning data into models

6. Center for Structures of Membrane Proteins © 2006 Turning Data into Models NumberDescriptionPercent 446028Images (~7 TB)33% 2346Data sets47% 449MAD/SAD (1:2)19% 104Published4.4% 8.3.1 in 2003

7. Simulated diffraction image (2008) simulatedreal

8. Center for Structures of Membrane Proteins © 2006 Simulated Diffraction Images simulatedreal

9. SimulatedstatisticReal 5.4%R merge 6.2% 18.9I/sd16.2 1.9I/sd (1.4 Ǻ)1.6 1.7 4.0 0.020SDCORR1.0 2.2 0.065 36.8PADFPH31.46 3.871mlphare f”3.476 0.178FOM0.192 0.545FOMDM0.664 0.6270CC(1H87)0.6090 0.170R cryst 0.184 0.205R free 0.231

10. Center for Structures of Membrane Proteins © 2006 Data processing statistics SimulatedstatisticReal 5.4%R merge 6.2% 18.9I/sd16.2 1.9I/sd (1.4 Ǻ)1.6 1.7 4.0 0.020SDCORR1.0 2.2 0.065 36.8PADFPH31.46 3.871mlphare f”3.476 0.178FOM0.192 0.545FOMDM0.664 0.6270CC(1H87)0.6090 0.170R cryst 0.184 0.205R free 0.231

11. mosaic spread = 0 º

12. mosaic spread = 0.1º

13. mosaic spread = 0.2º

14. mosaic spread = 0.4º

15. mosaic spread = 0.6º

16. mosaic spread = 0.8º

17. mosaic spread = 1.0º

18. mosaic spread = 1.5º

19. mosaic spread = 2.0º

20. mosaic spread = 2.5º

21. mosaic spread = 3.2º

22. mosaic spread = 6.4º

23. mosaic spread = 12.8º

24. Shutter Jitter rms timing error (% exposure) CC to correct model Bijvoet ratio = 3.8%

25. Howells et al. (2005) J. Electron. Spectrosc. Relat. Phenom. (accepted) preprint: http://arxiv.org/abs/physics/0502059 resolution (Å) maximum tolerable dose (MGy) 1 2 3 5 7 10 20 40 70 100 1 10 100 10 3

26. Crystal Size crystal size (um) CC to correct model predicted Glaeser et.al. (2000) 1 μm amyloids Nelson et al. 2005 Sawaya et al. 2007 ~12 μm xylanase Moukhametzianov et al. 2008 5 μm cypovirus polyhedra Coulibaly et. al. 2007 5 μm (13x) bovine rhodopsin Standfuss et al. 2007 Glaeser et.al. (2000) Silz et.al. (2003)

27. Plate goniometers

29. Center for Structures of Membrane Proteins © 2006