Self-terminating diffraction gates femtosecond X-ray nanocrystallography measurements

Barty, Anton; Caleman, Carl; Aquila, Andrew; Tı̂mneanu, Nicuşor; Lomb, Lukas; White, Thomas A.; Andreasson, Jakob; Arnlund, David; Bajt, Saša; Barends, Thomas R. M.; Barthelmeß, Miriam; Bogan, Michael J.; Bostedt, Christoph; Bozek, John D.; Coffee, Ryan; Coppola, N.; Davidsson, Jan; DePonte, Daniel P.; Doak, R. Bruce; Ekeberg, Tomas; Elser, Veit; Epp, Sascha W.; Erk, Benjamin; Fleckenstein, H.; Foucar, L.; Fromme, Petra; Graafsma, H.; Gumprecht, Lars; Hajdu, János; Hampton, Christina Y.; Hartmann, R.; Hartmann, Andreas; Hauser, Günter; Hirsemann, H.; Holl, P.; Hunter, Mark S.; Johansson, Lars Gunnar; Kassemeyer, Stephan; Kimmel, Nils; Kirian, Richard A.; Liang, Mao; Maia, Filipe R. N. C.; Malmerberg, Erik; Marchesini, Stefano; Martin, Andrew V.; Nass, Karol; Neutze, Richard; Reich, Christian; Rolles, Daniel; Rudek, Benedikt; Rudenko, Artem; Scott, H. A.; Schlichting, Ilme; Schulz, Joachim; Seibert, M.; Shoeman, Robert L.; Sierra, Raymond G.; Soltau, H.; Spence, John C. H.; Stellato, Francesco; Stern, Stephan; Strüder, L.; Ullrich, J.; Wang, Xiaoyu; Weidenspointner, G.; Weierstall, Uwe; Wunderer, C.; Chapman, Henry N.

doi:10.1038/nphoton.2011.297

Cited by 300 publications

(217 citation statements)

References 25 publications

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“…T he recent development of high peak brightness X-ray freeelectron lasers 1 (XFELs) has enabled breakthroughs in several fields, including warm dense plasmas 2 and the diffractive imaging of biological macromolecules [3][4][5][6] . The interpretation of these experiments is facilitated by comparison with computational models of the X-ray matter interaction, in which the models are exploring previously untested intensity regimes.…”

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confidence: 99%

Femtosecond X-ray-induced explosion of C60 at extreme intensity

et al. 2014

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Understanding molecular femtosecond dynamics under intense X-ray exposure is critical to progress in biomolecular imaging and matter under extreme conditions. Imaging viruses and proteins at an atomic spatial scale and on the time scale of atomic motion requires rigorous, quantitative understanding of dynamical effects of intense X-ray exposure. Here we present an experimental and theoretical study of C 60 molecules interacting with intense X-ray pulses from a free-electron laser, revealing the influence of processes not previously reported. Our work illustrates the successful use of classical mechanics to describe all moving particles in C 60 , an approach that scales well to larger systems, for example, biomolecules. Comparisons of the model with experimental data on C 60 ion fragmentation show excellent agreement under a variety of laser conditions. The results indicate that this modelling is applicable for X-ray interactions with any extended system, even at higher X-ray dose rates expected with future light sources.

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confidence: 99%

Femtosecond X-ray-induced explosion of C60 at extreme intensity

et al. 2014

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“…This method of "diffraction-beforedestruction" allows for a delivered radiation dose (energy/ mass) that is orders of magnitude larger than the tolerable dose using longer duration exposures because the pulse terminates before the onset of significant atomic motion [5], thereby bypassing some of the known limitations of conventional synchrotron-based macromolecular crystallography. Such high intensity snapshot diffraction patterns allow for room-temperature structure determination of radiation-sensitive biological macromolecules from crystals of just a few hundred nanometers in size.…”

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confidence: 99%

Direct Phasing of Finite Crystals Illuminated with a Free-Electron Laser

et al. 2015

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It has been suggested that the extended intensity profiles surrounding Bragg reflections that arise when a series of finite crystals of varying size and shape are illuminated by the intense, coherent illumination of an x-ray free-electron laser may enable the crystal's unit-cell electron density to be obtained ab initio via wellestablished iterative phasing algorithms. Such a technique could have a significant impact on the field of biological structure determination since it avoids the need for a priori information from similar known structures, multiple measurements near resonant atomic absorption energies, isomorphic derivative crystals, or atomic-resolution data. Here, we demonstrate this phasing technique on diffraction patterns recorded from artificial two-dimensional microcrystals using the seeded soft x-ray free-electron laser FERMI. We show that the technique is effective when the illuminating wavefront has nonuniform phase and amplitude, and when the diffraction intensities cannot be measured uniformly throughout reciprocal space because of a limited signal-to-noise ratio.

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“…In the early experiments at LCLS 11,13 , the experimenters inferred the X-ray pulse duration to explain their results owing to lack of X-ray diagnostics. In the field of molecular imaging and nanocrystallography, ultrashort and temporally well-defined X-ray pulses are crucial as the radiation damage is expected and observed experimentally 14,15 .…”

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confidence: 99%

Few-femtosecond time-resolved measurements of X-ray free-electron lasers

et al. 2014

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X-ray free-electron lasers, with pulse durations ranging from a few to several hundred femtoseconds, are uniquely suited for studying atomic, molecular, chemical and biological systems. Characterizing the temporal profiles of these femtosecond X-ray pulses that vary from shot to shot is not only challenging but also important for data interpretation. Here we report the time-resolved measurements of X-ray free-electron lasers by using an X-band radiofrequency transverse deflector at the Linac Coherent Light Source. We demonstrate this method to be a simple, non-invasive technique with a large dynamic range for single-shot electron and X-ray temporal characterization. A resolution of less than 1 fs root mean square has been achieved for soft X-ray pulses. The lasing evolution along the undulator has been studied with the electron trapping being observed as the X-ray peak power approaches 100 GW.

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Self-terminating diffraction gates femtosecond X-ray nanocrystallography measurements

Cited by 300 publications

References 25 publications

Femtosecond X-ray-induced explosion of C60 at extreme intensity

Femtosecond X-ray-induced explosion of C60 at extreme intensity

Direct Phasing of Finite Crystals Illuminated with a Free-Electron Laser

Few-femtosecond time-resolved measurements of X-ray free-electron lasers

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