First Biology on SANS2D

Will accelerator source time-of-flight
SANS deliver for structural biology?
          Cameron Ney...
£300 investment




http://www.flickr.com/photos/smigol/2467443756
Five years…so far…




http://www.flickr.com/photos/joelanman/366972076
4
Q         sin(  / 2 )
      
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...
…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
That’s an overstatement but…
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
Flux/Collection time
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
…more neutrons
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 1...
STFC/Richard Heenan
STFC/Richard Heenan
Adjustable collimation without windows




                                         STFC
STFC/Richard Heenan
STFC/Richard Heenan
STFC/Richard Heenan
STFC/Richard Heenan
Two detectors for wide Q range




                                 STFC
STFC/Richard Heenan
The data
Caveats

   Thick-walled moderator at low pressure

         Data from one detector only

Instrument not fully aligned; co...
Lysozyme/D2O
8 mg.mL-1
3 hours
L2 = 6m
6m collimation
Lysozyme/H2O
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 ar...
Prospects…

       Enormous simultaneous Q range

       Two-fold flux increase from source

Two-fold increase from alignm...
Conclusions…

Lots of work to identify instrument configurations

 A versatile instrument for hierarchical systems

Compet...
NIMROD
NearandInterMediateRange
OrderDiffractometer




                           STFC
Data from a mesostructured glass




                                                   STFC
 Currently optimized Q-range ...
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 d...
Reflectometers…
Reflectometers…
LMX ~2015
TS-2 and the biosciences
 Optimizedinstrumentation on a unique source

     Powerful tools for hierarchical systems

Combi...
http://www.flickr.com/photos/thetruthabout/2842830409
Acknowledgements
SANS2d: Richard Heenan, David
Turner, James Treadgold, Sarah
Rogers, Ann Terry & Steve King
Sample prepar...
First Biology on SANS2d
First Biology on SANS2d
First Biology on SANS2d
First Biology on SANS2d
First Biology on SANS2d
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First Biology on SANS2d

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

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First Biology on SANS2d

  1. 1. First Biology on SANS2D Will accelerator source time-of-flight SANS deliver for structural biology? Cameron Neylon
  2. 2. £300 investment http://www.flickr.com/photos/smigol/2467443756
  3. 3. Five years…so far… http://www.flickr.com/photos/joelanman/366972076
  4. 4. 4 Q  sin(  / 2 ) 
  5. 5. A range of wavelengths… http://www.flickr.com/photos/7519597@N05/2466444043
  6. 6. …to access more lengthscales http://www.flickr.com/photos/smithco/76749100
  7. 7. Wikimedia Commons Succinate_Dehydrogenase_1YQ3_and_Membrane.png Biology is complicated… Wikimedia Commons MGMT BDNA_1T38.png
  8. 8. …on a wide range… William Crochot/NIST Wikimedia Commons, used with permission
  9. 9. …of lengthscales Wikimedia Commons: Yeast_membrane_proteins.jpg
  10. 10. SANS is good for complex systems Wu et al., JBC, 2009, Manuscript M109.039537
  11. 11. So TOF SANS is great for biology? http://www.flickr.com/photos/thetruthabout/2842830409
  12. 12. But when we look for examples… http://www.flickr.com/photos/suzanneandsimon/1561911861
  13. 13. That’s an overstatement but…
  14. 14. Secretory IgA2 Bonner et al, J. BiolChem (2009) 284:5077 SANS data from LOQ
  15. 15. …few examples of TOF-SANS used in model building
  16. 16. Why? http://www.flickr.com/photos/mattymatt/3017263513
  17. 17. Flux/Collection time
  18. 18. http://www.flickr.com/photos/fotoosvanrobin/3470106225
  19. 19. Background issues http://www.flickr.com/photos/god-country-history/1535244721
  20. 20. http://www.flickr.com/photos/akira_kev/2307577638
  21. 21. The source http://www.flickr.com/photos/scobleizer/2442984975
  22. 22. Low power… http://www.flickr.com/photos/wheany/3200055138
  23. 23. …more neutrons
  24. 24. The instrument The instrument http://www.flickr.com/photos/cellonaut/3225137280
  25. 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. 26. STFC/Richard Heenan
  27. 27. STFC/Richard Heenan
  28. 28. Adjustable collimation without windows STFC
  29. 29. STFC/Richard Heenan
  30. 30. STFC/Richard Heenan
  31. 31. STFC/Richard Heenan
  32. 32. STFC/Richard Heenan
  33. 33. Two detectors for wide Q range STFC
  34. 34. STFC/Richard Heenan
  35. 35. The data
  36. 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. 37. Lysozyme/D2O 8 mg.mL-1 3 hours L2 = 6m 6m collimation
  38. 38. Lysozyme/H2O
  39. 39. GFP/D2O with aggregation Qmin ~ 0.005 Qmax ~ 0.4 Å-1
  40. 40. GFP/D2O with aggregation Qmin ~ 0.005 Qmax ~ 0.4 Å-1 …one detector, one position
  41. 41. Problems… Issues with background subtraction Systematic errors in reduction process Instrument scattering artefacts Data reduction issues slowing optimization
  42. 42. Prospects… Enormous simultaneous Q range Two-fold flux increase from source Two-fold increase from alignment and collimation Three-fold from additional detector
  43. 43. Conclusions… Lots of work to identify instrument configurations A versatile instrument for hierarchical systems Competitive collection times wrtbest instruments Real potential for structural biology
  44. 44. NIMROD NearandInterMediateRange OrderDiffractometer STFC
  45. 45. Data from a mesostructured glass STFC Currently optimized Q-range of 0.02Å-1 to 50Å-1
  46. 46. 5Å 10Å 40Å 70Å STFC/Daniel Bowron 1Å-1 0.6Å-1 0.15Å-1 0.09Å-1
  47. 47. 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?
  48. 48. Reflectometers…
  49. 49. Reflectometers…
  50. 50. LMX ~2015
  51. 51. 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?
  52. 52. http://www.flickr.com/photos/thetruthabout/2842830409
  53. 53. 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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