Sébastien Boutet LUSI DOE Review July 23, 2007 CXI (WBS 1.3) 1 Coherent X-ray Imaging (WBS 1.3) Sébastien Boutet System Specifications System Description WBS Early Science Schedule and Costs Summary System Specifications System Description WBS Early Science Schedule and Costs Summary

Sébastien Boutet LUSI DOE Review July 23, 2007 CXI (WBS 1.3) 2 Science Team Specifications and instrument concept developed with the science team. The CXI team leaders Janos Hajdu, Photon Science-SLAC, Uppsala University (leader) Henry Chapman, LLNL John Miao, UCLA Specifications and instrument concept developed with the science team. The CXI team leaders Janos Hajdu, Photon Science-SLAC, Uppsala University (leader) Henry Chapman, LLNL John Miao, UCLA

Sébastien Boutet LUSI DOE Review July 23, 2007 CXI (WBS 1.3) 3 Molecular Structure Determination by Protein Crystallography Molecular structure is crucial for medical applications. Inability to produce large high quality crystals is the main bottleneck. Radiation damage is overcome by spreading it over or more copies of the same molecule.

Sébastien Boutet LUSI DOE Review July 23, 2007 CXI (WBS 1.3) 4 Coherent Diffractive Imaging of Biomolecules Combine measurements into 3D dataset Noisy diffraction pattern XFEL pulse Particle injection One pulse, one measurement Gösta Huldt, Abraham Szöke, Janos Hajdu (J.Struct Biol, ERD-047)

Sébastien Boutet LUSI DOE Review July 23, 2007 CXI (WBS 1.3) 5 Particle injection LCLS beam (focused, possibly optically compressed) Optical and x-ray diagnostics Pixel detector Intelligent beam-stop (wavefront sensor) To Time Of Flight (TOF) mass spectrometer Conceptual Design of CXI Instrument Readout and reconstruction

Sébastien Boutet LUSI DOE Review July 23, 2007 CXI (WBS 1.3) 6 CXI Science at LCLS Short pulses Instantaneous snapshots with no thermal fluctuations. Limited radiation damage during the exposure. High brightness Good signal-to-noise with a single shot. Smaller samples. Spatial coherence Elimination of incoherent scattering which contributes to sample damage but not to the signal. Short pulses Instantaneous snapshots with no thermal fluctuations. Limited radiation damage during the exposure. High brightness Good signal-to-noise with a single shot. Smaller samples. Spatial coherence Elimination of incoherent scattering which contributes to sample damage but not to the signal. Scientific programs X-ray-matter interactions on the fs time scale. Validation of damage models. Structure determination from nanocrystals of proteins. Imaging of hydrated cells beyond the damage limit in 2D. Imaging of nanoparticles. Structure determination of large reproducible biomolecules. Structure determination of reproducible protein complexes and molecular machines.

Sébastien Boutet LUSI DOE Review July 23, 2007 CXI (WBS 1.3) 7 CXI SCOPE - WBS 1.3 Scope/CD-1 Estimate Includes: Physics support & engineering integration X-ray optics – Be lenses, K-B mirror systems, slit system, attenuator, pulse picker, x- ray pulse compressor Sample Environment (chamber & sample diagnostics) Single particle injector (LLNL MoU) Laboratory facilities Vacuum system Installation Diagnostics (WBS 1.5) Controls and data system (WBS 1.6)

Sébastien Boutet LUSI DOE Review July 23, 2007 CXI (WBS 1.3) 8 System Specifications ItemPurposeSpecification Focusing optics Produce required flux.Focal spot sizes of 10,1, 0.1 micron Sample chamber Vacuum sample env., reduced background Vacuum below torr Particle injector Deliver single particles in the gas phase Particle size range : 10 – 1000 nm Particle beam focus < 150 microns DetectorMeasurement of diffraction pattern 2-D, 760 x 760 pixels, 120 Hz readout 110  110 µm pixel size, with central hole (utilizing LCLS det.) Sample diagnostics Analysis of sample fragments after Coulomb explosion Ion TOF : resolution of one mass unit up to 100 AMU Electron TOF : Resolution of X-ray pulse compressor Reduce pulse length20 fs pulse length

Sébastien Boutet LUSI DOE Review July 23, 2007 CXI (WBS 1.3) 9 Coherent X-ray Imaging Instrument 1 micron KB system 0.1 micron KB system Sample Chamber with raster stage LCLS detector Wavefront sensor 10 micron Be lens (not shown) Particle injector Electron/Ion TOF Cryo- goniometer X-ray Pulse compressor (not shown)

Sébastien Boutet LUSI DOE Review July 23, 2007 CXI (WBS 1.3) 10 CXI System Description Physics support and engineering integration X-ray optics Sample environment Laboratory facilities Vacuum system Particle injector Installation Physics support and engineering integration X-ray optics Sample environment Laboratory facilities Vacuum system Particle injector Installation

Sébastien Boutet LUSI DOE Review July 23, 2007 CXI (WBS 1.3) X-ray optics Focusing Be lens for 10 micron focus K-B systems for 1 and 0.1 micron foci Pulse compression optics Slits, attenuators, pulse picker Radiation damage resistant Sample environment Sample chamber Vacuum better than torr Sample translation stages Cryo-goniometer Sample diagnostics Ion and electron TOF mass spectrometer Detector positioning mm from sample X-ray optics Focusing Be lens for 10 micron focus K-B systems for 1 and 0.1 micron foci Pulse compression optics Slits, attenuators, pulse picker Radiation damage resistant Sample environment Sample chamber Vacuum better than torr Sample translation stages Cryo-goniometer Sample diagnostics Ion and electron TOF mass spectrometer Detector positioning mm from sample CXI System Description (2)

Sébastien Boutet LUSI DOE Review July 23, 2007 CXI (WBS 1.3) 12 CXI System Description (3) Laboratory facilities Vacuum system Single particle injector (LLNL MoU) Focused beam of particles of varying size Particle size range: nm Remotely controlled Steering range : 10 mm Particle beam diagnostics Beam position Beam density Installation Laboratory facilities Vacuum system Single particle injector (LLNL MoU) Focused beam of particles of varying size Particle size range: nm Remotely controlled Steering range : 10 mm Particle beam diagnostics Beam position Beam density Installation

Sébastien Boutet LUSI DOE Review July 23, 2007 CXI (WBS 1.3) WBS to Level Coherent X-ray Imaging Physics Support Eng. Integration X-ray Optics K-B System Be Lens Slit System Attenuators Compressor Sample Environment Sample Chamber Ion TOF Electron TOF Precision Instrument Stand Laboratory Facilities Electrical Control Room Furniture Hutch Furniture Radiation Physics Vacuum Vacuum Hardware Bellows Spools Vacuum Supports Injector st Article – MoU LLNL Installation Non-recurring Engineering Installation LCLS CD-4a Installation LCLS CD-4b Complete Installation LUSI CD-4

Sébastien Boutet LUSI DOE Review July 23, 2007 CXI (WBS 1.3) 14 CD 4a CXI Instrumentation Sample Chamber with raster stage LCLS detector 10 micron Be lens Particle injector Electron/Ion TOF (existing 1 st article)

Sébastien Boutet LUSI DOE Review July 23, 2007 CXI (WBS 1.3) 15 CD 4a CXI Science Proof of principle imaging of test objects at diffraction limited resolution with a single LCLS shot. Measurement of damage during pulse and comparison to damage models. Known samples on substrates Known viruses Latex nano-spheres Damage versus fluence measurements. Analysis of sample fragments with TOF mass spectrometers. Neutze, R. Wouts, D. van der Spoel, E. Weckert, and J. Hajdu, Nature, 406, (2000). low fluence high fluence

Sébastien Boutet LUSI DOE Review July 23, 2007 CXI (WBS 1.3) 16 CD 4a CXI Science (2) Study of radiation damage mitigation techniques. Thin tamper layers around a single molecule may slow the damage process. Macromolecular structure determination from nanocrystals of proteins. Proteins that form nanocrystals but do not form large crystals suitable for crystallography at synchrotron source. 3D diffraction pattern built from multiple injected nanocrystals. Relative orientation of each crystal determined from common lattice structure. Imaging of hydrated cells beyond the damage limit in 2D. Existing injector technology can provide sufficient hit rate for imaging of injected cells. 10 micron X-ray focus can provide sufficient signal. Study of radiation damage mitigation techniques. Thin tamper layers around a single molecule may slow the damage process. Macromolecular structure determination from nanocrystals of proteins. Proteins that form nanocrystals but do not form large crystals suitable for crystallography at synchrotron source. 3D diffraction pattern built from multiple injected nanocrystals. Relative orientation of each crystal determined from common lattice structure. Imaging of hydrated cells beyond the damage limit in 2D. Existing injector technology can provide sufficient hit rate for imaging of injected cells. 10 micron X-ray focus can provide sufficient signal.

Sébastien Boutet LUSI DOE Review July 23, 2007 CXI (WBS 1.3) 17 CXI Schedule in Primavera 3.1

Sébastien Boutet LUSI DOE Review July 23, 2007 CXI (WBS 1.3) 18 CXI Milestones CD-1Aug 01, 07 Conceptual Design CompleteOct 03, 07 CD-2aDec 03, 07 CD-3aJuly 21, 08 Phase I Final Design Complete Aug 12, 08 Receive Sample ChamberNov 11, 08 Receive Focusing LensesFeb 26, 09 Receive Pulse PickerMar 13, 09 Phase I Installation CompleteAug 26, 09 CD-4aFeb 08, 10 CD-1Aug 01, 07 Conceptual Design CompleteOct 03, 07 CD-2aDec 03, 07 CD-3aJuly 21, 08 Phase I Final Design Complete Aug 12, 08 Receive Sample ChamberNov 11, 08 Receive Focusing LensesFeb 26, 09 Receive Pulse PickerMar 13, 09 Phase I Installation CompleteAug 26, 09 CD-4aFeb 08, 10

Sébastien Boutet LUSI DOE Review July 23, 2007 CXI (WBS 1.3) 19 CXI Cost Estimate

Sébastien Boutet LUSI DOE Review July 23, 2007 CXI (WBS 1.3) 20 Summary Instrument concept advanced 100% of Letters of Intent are represented in instrument concept Instrument concept is based on proven developments made at FLASH and SR sources Initial specifications well developed Ready to proceed with baseline cost and schedule development Instrument concept advanced 100% of Letters of Intent are represented in instrument concept Instrument concept is based on proven developments made at FLASH and SR sources Initial specifications well developed Ready to proceed with baseline cost and schedule development