First Biology on SANS2d

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Cameron Neylon

Talk given at the Neutrons in Biology Meeting, held at Santa Fe, 24-29 October 2009

Tecnología Deportes

First Biology on SANS2D

Will accelerator source time-of-flight
SANS deliver for structural biology?
Cameron Neylon

£300 investment

http://www.flickr.com/photos/smigol/2467443756

Five years…so far…

http://www.flickr.com/photos/joelanman/366972076

A range of wavelengths…

http://www.flickr.com/photos/7519597@N05/2466444043

…to access more lengthscales

http://www.flickr.com/photos/smithco/76749100

Wikimedia Commons
Succinate_Dehydrogenase_1YQ3_and_Membrane.png
Biology is complicated…

Wikimedia Commons
MGMT BDNA_1T38.png

…on a wide range…

William Crochot/NIST Wikimedia Commons, used with permission

…of lengthscales

Wikimedia Commons: Yeast_membrane_proteins.jpg

SANS is good for complex systems

Wu et al., JBC, 2009, Manuscript M109.039537

So TOF SANS is great for biology?

http://www.flickr.com/photos/thetruthabout/2842830409

But when we look for examples…

http://www.flickr.com/photos/suzanneandsimon/1561911861

Secretory IgA2
Bonner et al, J. BiolChem (2009) 284:5077
SANS data from LOQ

…few examples of TOF-SANS
used in model building

Why?

http://www.flickr.com/photos/mattymatt/3017263513

http://www.flickr.com/photos/fotoosvanrobin/3470106225

Background issues

http://www.flickr.com/photos/god-country-history/1535244721

http://www.flickr.com/photos/akira_kev/2307577638

The source

http://www.flickr.com/photos/scobleizer/2442984975

Low power…

http://www.flickr.com/photos/wheany/3200055138

The instrument
The instrument

http://www.flickr.com/photos/cellonaut/3225137280

Collimation L1 = 2 to 12 m,
Sample at 19m from moderator,
Sample to detector L2 = 2 to 12 m,
Qmin~ 0.002 Å-1, λ = 1.5 to 12 Å by time of flight,
Qmax~ 3 Å-1

STFC

Adjustable collimation without windows

STFC

Caveats

Thick-walled moderator at low pressure

Data from one detector only

Instrument not fully aligned; collimation issues

Issues with data reduction software slowing
commissioning down

Lysozyme/D2O
8 mg.mL-1
3 hours
L2 = 6m
6m collimation

GFP/D2O with aggregation
Qmin ~ 0.005 Qmax ~ 0.4 Å-1

GFP/D2O with aggregation
Qmin ~ 0.005 Qmax ~ 0.4 Å-1

…one detector, one position

Problems…

Issues with background subtraction

Systematic errors in reduction process

Instrument scattering artefacts

Data reduction issues slowing optimization

Prospects…

Enormous simultaneous Q range

Two-fold flux increase from source

Two-fold increase from alignment and collimation

Three-fold from additional detector

Conclusions…

Lots of work to identify instrument configurations

A versatile instrument for hierarchical systems

Competitive collection times wrtbest instruments

Real potential for structural biology

$NIMROD NearandInterMediateRange OrderDiffractometer STFC$

Data from a mesostructured glass

STFC
Currently optimized Q-range of 0.02Å-1 to 50Å-1

5Å 10Å 40Å 70Å

STFC/Daniel Bowron
1Å-1 0.6Å-1 0.15Å-1 0.09Å-1

Prospects…

World class SANS instrument for large samples

High resolution data (but not verylow Q)

Requires new data analysis techniques

Combined data sets with differential labeling?

TS-2 and the biosciences
Optimizedinstrumentation on a unique source

Powerful tools for hierarchical systems

Combining the best characteristics of instruments

A view towards a future of long pulse sources?

http://www.flickr.com/photos/thetruthabout/2842830409

Acknowledgements
SANS2d: Richard Heenan, David
Turner, James Treadgold, Sarah
Rogers, Ann Terry & Steve King
Sample preparation: Luke Clifton
Data reduction: The MANTID team
UK Large Facilities Capital Fund
STFC

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First Biology on SANS2d

1. First Biology on SANS2D Will accelerator source time-of-flight SANS deliver for structural biology? Cameron Neylon

2. £300 investment http://www.flickr.com/photos/smigol/2467443756

3. Five years…so far… http://www.flickr.com/photos/joelanman/366972076

4. 4 Q  sin(  / 2 ) 

5. A range of wavelengths… http://www.flickr.com/photos/7519597@N05/2466444043

6. …to access more lengthscales http://www.flickr.com/photos/smithco/76749100

7. Wikimedia Commons Succinate_Dehydrogenase_1YQ3_and_Membrane.png Biology is complicated… Wikimedia Commons MGMT BDNA_1T38.png

8. …on a wide range… William Crochot/NIST Wikimedia Commons, used with permission

9. …of lengthscales Wikimedia Commons: Yeast_membrane_proteins.jpg

10. SANS is good for complex systems Wu et al., JBC, 2009, Manuscript M109.039537

11. So TOF SANS is great for biology? http://www.flickr.com/photos/thetruthabout/2842830409

12. But when we look for examples… http://www.flickr.com/photos/suzanneandsimon/1561911861

13. That’s an overstatement but…

14. Secretory IgA2 Bonner et al, J. BiolChem (2009) 284:5077 SANS data from LOQ

15. …few examples of TOF-SANS used in model building

16. Why? http://www.flickr.com/photos/mattymatt/3017263513

17. Flux/Collection time

18. http://www.flickr.com/photos/fotoosvanrobin/3470106225

19. Background issues http://www.flickr.com/photos/god-country-history/1535244721

20. http://www.flickr.com/photos/akira_kev/2307577638

21. The source http://www.flickr.com/photos/scobleizer/2442984975

22. Low power… http://www.flickr.com/photos/wheany/3200055138

23. …more neutrons

24. The instrument The instrument http://www.flickr.com/photos/cellonaut/3225137280

25. Collimation L1 = 2 to 12 m, Sample at 19m from moderator, Sample to detector L2 = 2 to 12 m, Qmin~ 0.002 Å-1, λ = 1.5 to 12 Å by time of flight, Qmax~ 3 Å-1 STFC

26. STFC/Richard Heenan

27. STFC/Richard Heenan

28. Adjustable collimation without windows STFC

29. STFC/Richard Heenan

30. STFC/Richard Heenan

31. STFC/Richard Heenan

32. STFC/Richard Heenan

33. Two detectors for wide Q range STFC

34. STFC/Richard Heenan

35. The data

36. Caveats Thick-walled moderator at low pressure Data from one detector only Instrument not fully aligned; collimation issues Issues with data reduction software slowing commissioning down

37. Lysozyme/D2O 8 mg.mL-1 3 hours L2 = 6m 6m collimation

38.

39.

40.

41. Lysozyme/H2O

42. GFP/D2O with aggregation Qmin ~ 0.005 Qmax ~ 0.4 Å-1

43. GFP/D2O with aggregation Qmin ~ 0.005 Qmax ~ 0.4 Å-1 …one detector, one position

44. Problems… Issues with background subtraction Systematic errors in reduction process Instrument scattering artefacts Data reduction issues slowing optimization

45. Prospects… Enormous simultaneous Q range Two-fold flux increase from source Two-fold increase from alignment and collimation Three-fold from additional detector

46. Conclusions… Lots of work to identify instrument configurations A versatile instrument for hierarchical systems Competitive collection times wrtbest instruments Real potential for structural biology

47. NIMROD NearandInterMediateRange OrderDiffractometer STFC

48. Data from a mesostructured glass STFC Currently optimized Q-range of 0.02Å-1 to 50Å-1

49. 5Å 10Å 40Å 70Å STFC/Daniel Bowron 1Å-1 0.6Å-1 0.15Å-1 0.09Å-1

50. Prospects… World class SANS instrument for large samples High resolution data (but not verylow Q) Requires new data analysis techniques Combined data sets with differential labeling?

51. Reflectometers…

52. Reflectometers…

53. LMX ~2015

54. TS-2 and the biosciences Optimizedinstrumentation on a unique source Powerful tools for hierarchical systems Combining the best characteristics of instruments A view towards a future of long pulse sources?

55.

56. http://www.flickr.com/photos/thetruthabout/2842830409

57. Acknowledgements SANS2d: Richard Heenan, David Turner, James Treadgold, Sarah Rogers, Ann Terry & Steve King Sample preparation: Luke Clifton Data reduction: The MANTID team UK Large Facilities Capital Fund STFC

First Biology on SANS2d

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