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000000206 035__ $$a(DESY)207519
000000206 037__ $$aPUBDB-2015-01388
000000206 041__ $$aeng
000000206 082__ $$a300
000000206 245__ $$aA split-beam probe-pump-probe scheme for femtosecond time resolved protein X-ray crystallography
000000206 260__ $$aMelville, NY$$c2015$$bAIP Publishing LLC
000000206 269__ $$a2015
000000206 336__ $$aArticles
000000206 520__ $$aIn order to exploit the femtosecond pulse duration of X-ray Free-Electron Lasers (XFEL) operating in the hard X-ray regime for ultrafast time-resolved protein crystallography experiments, critical parameters that determine the crystallographic signal-to-noise (I/σI) must be addressed. For single-crystal studies under low absorbed dose conditions, it has been shown that the intrinsic pulse intensity stability as well as mode structure and jitter of this structure, significantly affect the crystallographic signal-to-noise. Here, geometrical parameters are theoretically explored for a three-beam scheme: X-ray probe, optical pump, X-ray probe (or “probe-pump-probe”) which will allow experimental determination of the photo-induced structure factor amplitude differences, ΔF, in a ratiometric manner, thereby internally referencing the intensity noise of the XFEL source. In addition to a non-collinear split-beam geometry which separates un-pumped and pumped diffraction patterns on an area detector, applying an additional convergence angle to both beams by focusing leads to integration over mosaic blocks in the case of well-ordered stationary protein crystals. Ray-tracing X-ray diffraction simulations are performed for an example using photoactive yellow protein crystals in order to explore the geometrical design parameters which would be needed. The specifications for an X-ray split and delay instrument that implements both an offset angle and focused beams are discussed, for implementation of a probe-pump-probe scheme at the European XFEL. We discuss possible extension of single crystal studies to serial femtosecond crystallography, particularly in view of the expected X-ray damage and ablation due to the first probe pulse.
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000000206 546__ $$aEnglish
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000000206 690__ $$aEuXFEL facility
000000206 690__ $$aExternal experiment
000000206 693__ $$aXFEL$$eFacility (machine) XFEL$$1EXP:(DE-H253)XFEL-20150101$$0EXP:(DE-H253)XFEL(machine)-20150101$$5EXP:(DE-H253)XFEL(machine)-20150101$$x0
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000000206 7001_ $$eCorresponding Author$$b0$$0P:(DE-HGF)0$$avan Thor, Jasper J.
000000206 7001_ $$01134$$b1$$aMadsen, Anders
000000206 773__ $$a10.1063/1.4906354$$0PERI:(DE-600)2758684-4$$g2, 1, 014102$$n1$$p014102$$tStruct. Dyn.$$v2$$y2015$$x2329-7778
000000206 790__ $$aEuXFEL staff
000000206 790__ $$aOther
000000206 8560_ $$fjulika.wagner@desy.de
000000206 8564_ $$uhttp://scitation.aip.org/content/aca/journal/sdy/2/1/10.1063/1.4906354
000000206 8564_ $$uhttps://xfel.tind.io/record/206/files/1.4906354.pdf$$s2759836$$yOpenAccess
000000206 900__ $$aInstrument MID
000000206 9101_ $$aDivision of Molecular Biosciences, Imperial College London$$0I:(DE-HGF)0$$b0$$6P:(DE-HGF)0
000000206 9101_ $$aThe European X-Ray Laser Project XFEL$$0I:(DE-588b)16047298-2$$kXFEL$$b1$$6P:(DE-H253)PIP1013485
000000206 9101_ $$aExternes Institut$$0I:(DE-H253)_Extern-20120731$$k>Extern$$b1$$6P:(DE-H253)PIP1013485
000000206 9131_ $$aDE-HGF$$bForschungsbereich Materie$$lVon Materie zu Materialien und Leben$$1G:(DE-HGF)POF3-620$$0G:(DE-HGF)POF3-622$$2G:(DE-HGF)POF3-600$$vFacility topic: Research on Matter with Brilliant Light Sources$$9G:(DE-HGF)POF3-6G13$$x0
000000206 9130_ $$aDE-HGF$$bStruktur der Materie$$lForschung mit Photonen, Neutronen und Ionen (PNI)$$1G:(DE-HGF)POF2-540$$0G:(DE-HGF)POF2-54G17$$2G:(DE-HGF)POF2-500$$vDESY-participation in XFEL$$9G:(DE-H253)POF2-XFEL-20130405$$x0
000000206 9141_ $$y2015
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000000206 961__ $$ajulika.wagner@desy.de$$i2015-02-17T09:56:46.629382$$c2016-01-06T12:47:19.926474$$z2016-01-06T12:47:19.926474$$x2015-02-11T16:38:31.421957
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