ACA meeting July 2009 Highlights. Small Angle Scattering (X-rays, Neutrons) Don’t need.

Slides:

Advertisements

Similar presentations

Elven Automation Elves examine images and set-up data processing Elves run… mosflm scala solve mlphare dm arp/warp Holton and Alber PNAS USA

Advertisements

An introduction to the Rietveld method Angus P. Wilkinson School of Chemistry and Biochemistry Georgia Institute of Technology.

Laue Photography Mathematics Structures time-resolved crystallography neutron crystallography electron crystallography.

What data need to be measured? Scattering from: specimen in its container empty specimen container standard or calibration specimen.

Bob Sweet Bill Furey Considerations in Collection of Anomalous Data.

Discussion on Strategies Introductory Notes - omega vs. phi scans - beam polarization - single sweep vs. multi sweep - xtal shape as re-orientation/re-centering.

Synchrotron applications of pixel and strip detectors at Diamond Light Source Julien Marchal, Nicola Tartoni, Colin Nave Diamond Light Source 03/09/2008.

Richard M. Bionta XTOD July 19-21, 2005 UCRL-PRES-xxxxxx X Ray Diagnostics LCLS FAC Meeting Oct. 27, 2005.

Prismswww.edmundoptics.com Right AngleEquilateralPentagonalDove.

R.T. Jones, Newport News, Mar 21, 2002 Effects of Crystal Quality on Beam Intensity The graph at right shows how the width of a diamond’s Bragg peak affects.

(X-Ray Crystallography) X-RAY DIFFRACTION. I. X-Ray Diffraction  Uses X-Rays to identify the arrangement of atoms, molecules, or ions within a crystalline.

X-ray Crystallography Kalyan Das. Electromagnetic Spectrum to 10 nm 400 to 700 nm to nm 10 to 400 nm 700 to 10 4 nm X-ray radiation.

Interference and Diffraction

X-Ray Diffraction ME 215 Exp#1. X-Ray Diffraction X-rays is a form of electromagnetic radiation having a range of wavelength from nm (0.01x10 -9.

Macromolecular Small-Angle Scattering with Synchrotron Radiation Tom Irving BioCAT, Dept. BCPS and CSRRI Illinois Institute of Technology.

A U.S. Department of Energy Office of Science Laboratory Operated by The University of Chicago Argonne National Laboratory Office of Science U.S. Department.

PHY 102: Waves & Quanta Topic 8 Diffraction II John Cockburn Room E15)

Beam Lines At SSRL Cathie Condron SSRL Scattering Workshop May 2007.

Instrumentation - making & detecting x-rays Read Roe - Chap 2 through (ignore neutrons)

4-1 Chap. 7 (Optical Instruments), Chap. 8 (Optical Atomic Spectroscopy) General design of optical instruments Sources of radiation Selection of wavelength.

CHE (Structural Inorganic Chemistry) X-ray Diffraction & Crystallography lecture 2 Dr Rob Jackson LJ1.16,

Simulated diffraction image simulatedreal. SimulatedstatisticReal 5.4%R merge 6.2% 18.9I/sd I/sd (1.4 Ǻ) SDCORR PADFPH31.46.

DOSE, DAMAGE AND RESOLUTION - FUNDAMENTAL LIMITS IN COHERENT X- RAY-DIFFRACTION IMAGING H. Chapman % R. M. Glaeser * S. Hau-Riege % H. He* M. Howells*

Unknown at first, these photons from innershell transitions have played a vital role in materials analysis.

Chem X-ray Crystallography X-ray crystallography is an experimental technique that exploits the fact that X-rays are diffracted by the periodic.

X-Ray Crystallography Susan Ahrens February 3, 2004.

3. Spot Finding 7(i). 2D Integration 2. Image Handling 7(ii). 3D Integration 4. Indexing 8. Results Gwyndaf Evans 1, Graeme Winter 1, David Waterman 2,

BROOKHAVEN SCIENCE ASSOCIATES BIW ’ 06 Lepton Beam Emittance Instrumentation Igor Pinayev National Synchrotron Light Source BNL, Upton, NY.

Chapter 36 Diffraction In Chapter 35, we saw how light beams passing through different slits can interfere with each other and how a beam after passing.

X-Ray Diffraction Dr. T. Ramlochan March 2010.

PHYS 430/603 material Laszlo Takacs UMBC Department of Physics

CT Instrumentation and X-ray system

Lars Ehm National Synchrotron Light Source

PowerPoint File available: ~jamesh/powerpoint/ Oslo_2010.ppt.

Rastering strategy for screening and centring of microcrystal samples of human membrane proteins with a sub-10 µm size X-ray synchrotron beam by Vadim.

FIG. 5.1 Multiple scattering is viewed as a random walk of the photon in diffusing wave spectroscopy (DWS)

Assessing Single Crystal Diamond Quality

Motor driven incident slits (define the incident x-ray beam size) Synchrotron x-ray upstream beam aperture CCD camera Video camera Long working distance.

Where do the X-rays come from?. Electric charge balloon Wool Sweater

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

“hands-off” Screening with TOPAZ Chips For the purposes of testing both crystallization behavior and capability of the “tray goniometer”, chips were built.

X-ray powder diffractometer X-ray powder diffractometer.

Chris Hall Monash Centre for Synchrotron Science Monash University, Melbourne, Australia.

SPATIAL RESOLUTION OF NON- INVASIVE BEAM PROFILE MONITORBASED ON OPTICAL DIFFRACTION RADIATION A.P. Potylitsyn Tomsk Polytechnic University, , pr.

3. Spot Finding 7(i). 2D Integration 2. Image Handling 7(ii). 3D Integration 4. Indexing 8. Results 1. Introduction5. Refinement Background mask and plane.

IConUSAS, Oak Ridge, 9-10 July 2003 SASProFit - program for USANS data evaluation Jan Šaroun Nuclear Physics Institute Řež, Czech Republic The program.

Chapter 15 Preview Objectives Combining Light Waves

BEST strategy / SAD optimization Gleb Bourenkov EMBL-Hamburg Kappa Workgroup Meeting September 28-29, 2009 MAXLAB.

E. F. Eikenberry E. F. Eikenberry 1 Ch. Brönnimann 1 G. Huelsen 1 H. Toyokawa 2 R. Horisberger 3 B. Schmitt 1 C. Schulze-Briese 1 T. Tomizaki 1 1 Swiss.

Beamline summary 1.Strong PRT and staff 2.Robust optics and endstation 3.Safety: stable, simple operations 4.Funding: Operational funding secure.

Atomic structure model

Key slides. Holton J. M. and Frankel K. A. (2010) Acta D66, 393–408.

Center for Structures of Membrane Proteins © 2006 Optimizing x-ray structure determination James Holton LBNL/UCSF April 6, 2006.

X-Ray Diffraction Spring 2011.

Can we collect data yet?. time Can we collect data yet? No. time.

SCATTERING OF NEUTRONS AND X-RAYS kiki k i - k f = q hω ENERGY TRANSFER hq MOMENTUM TRANSFER kfkf Dynamic structure factor O r,t COHERENT INCOHERENT SCATTERING.

Dynamically Polarized Solid Target for Neutron Scattering at the SNS PST 07 J.K. Zhao Neutron Scattering Sciences Division, Spallation Neutron Source Oak.

Zero-Background Scatterless Hybrid Slits for Synchrotron and In-house SAXS Applications Cyrus R. Safinya, University of California-Santa Barbara, DMR

Lecture_08: Outline Matter Waves  de Broglie hypothesis  Experimental verifications  Wave functions.

Protein Crystallography: Present and Future Detector requirements Andrew GW Leslie MRC Laboratory of Molecular Biology, Cambridge, UK iWoRID, Zurich, July.

Why are. we not solving more struct tures? James Holton University of California San Francisco and Advanced Light Source Lawrence.

1 Opto-Acoustic Imaging 台大電機系李百祺. 2 Conventional Ultrasonic Imaging Spatial resolution is mainly determined by frequency. Fabrication of high frequency.

Presentation Outline ANAELU: 2-D XRD texture analysis Experimental 2D XRD patterns Representation of structure Simulation of single-crystal XRD Polycrystal.

At XFELs Joachim Schulz Sample Delivery Methods for Biology Experiments.

Data interpretation Creative Biostructure now can provide a collection of tools and analysis package for biomolecular structure determination, refinement.

Instrument Parameters in WDXRF

X-ray powder diffractometer.

Nanocharacterization (II)

Volume 54, Issue 4, Pages (May 2007)

Presentation transcript:

ACA meeting July 2009 Highlights

Small Angle Scattering (X-rays, Neutrons) Don’t need crystals Can study small proteins or HUGE complexes –Maximum size –Radius of gyration –BUT, more is possible: With medium resolution scattering curves, can generate models of possible SHAPES and then on using restraints such as compactness and -ab initio Also can generate models of complexes when you have the component structures from X-ray or NMR, compare calculated & real scattering curves hamburg.de/ExternalInfo/Research/Sax/atsas-online/ hamburg.de/ExternalInfo/Research/Sax/atsas-online/ Two good refs: Svergun, J. Appl. Cryst. 2006, 40, s10 - s17 Hura et al., Nature Methods 2009, 6, 606 -,612

Some examples of SAS SARS polyproteins Whole virus 400 kD protein studied by combination of –SAXS, AUC, DLS Making SDS into a non-denaturing detergent by adding cosolvents - like MPD; studied a  -barrel membrane protein MPD SDS OH

Powder Diffraction from sub-micron crystals of PSI using a micro-jet Mark Hunter (grad. Student) with others at ALS Filter microcrystals to size of 500 nM (<1000 unit cells) Shoot through an aperture serially, collect scattering using long wavelength so can get e.g. 28 Angstrom curves Working on developing this method to higher resolution at ALS Ref: Shapiro DA, Chapman HN, Deponte D, Doak RB, Fromme P, Hembree G, Hunter M, Marchesini S, Schmidt K, Spence J, Starodub D, Weierstall U. Powder diffraction from a continuous microjet of submicrometer protein crystals. J Synchrotron Radiat Nov;15(Pt 6): Epub 2008 Oct 3.

Irimpan Mathews - SSRL Grow crystals directly in loops Nextal plates

Instrumentation Session Pilates Detector - Swiss Light Source –Single photon counter, solid state, not a multiwire –No “dark current” or read noise –Less point spread –4 ms dead time Can collect continuously; no shutter, reduces noise Fine phi slicing - also better for noise Commercialization of detector Dectris

Data Collection Diagnostics James Holton: –Discovering the Rules of Successful Protein Structure Determination with Simulated Diffraction Images Only 2% data collected at beamlines become good structural models - why? “MLSFOM” - tool to simulate diffraction while varying parameters such as: –Spot shape –Mosaic spread –Beam divergence –Spectral dispersion –Point spread function –Radiation damage –Crystal size –Detector & goniometer properties Calculates a Correlation Coefficient with the actual data & if get >0.5, then (e.g. MAD) probably solvable ~jamesh/powerpoint/ACA_2009.ppthttp://bl831.als.lbl.gov/ ~jamesh/powerpoint/ACA_2009.ppt

dataset exposure1.0s0.1s1.0s frames x R merge R anom I/sd I/sd (2.0 Ǻ) redundancy PADFPH FOM FOMDM CC(1H87) same total dose with high and low redundancy

dataset exposure1.0s0.1s1.0s frames x R merge 5.6%11.2%4.7% R anom 4.8%4.7% I/sd I/sd (2.0 Ǻ) redundancy PADFPH FOM FOMDM CC(1H87) same total dose with high and low redundancy

dataset exposure1.0s0.1s1.0s frames x R merge 5.6% 11.2% 4.7% R anom 4.8%4.7% I/sd I/sd (2.0 Ǻ) redundancy PADFPH FOM FOMDM CC(1H87) same total dose with high and low redundancy

dataset exposure1.0s0.1s1.0s frames x R merge 5.6% 11.2% 4.7% R anom 4.8%4.7% I/sd I/sd (2.0 Ǻ) redundancy PADFPH FOM FOMDM CC(1H87) same total dose with high and low redundancy