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Lipidic cubic phase injector is a viable crystal delivery system for time-resolved serial crystallography

Description
Serial femtosecond crystallography (SFX) using X-ray free-electron laser sources is an emerging method with considerable potential for time-resolved pump-probe experiments. Here we present a lipidic cubic phase SFX structure of the light-driven proton pump bacteriorhodopsin (bR) to 2.3 Å resolution and a method to investigate protein dynamics with modest sample requirement.…

Serial femtosecond crystallography (SFX) using X-ray free-electron laser sources is an emerging method with considerable potential for time-resolved pump-probe experiments. Here we present a lipidic cubic phase SFX structure of the light-driven proton pump bacteriorhodopsin (bR) to 2.3 Å resolution and a method to investigate protein dynamics with modest sample requirement. Time-resolved SFX (TR-SFX) with a pump-probe delay of 1 ms yields difference Fourier maps compatible with the dark to M state transition of bR. Importantly, the method is very sample efficient and reduces sample consumption to about 1 mg per collected time point. Accumulation of M intermediate within the crystal lattice is confirmed by time-resolved visible absorption spectroscopy. This study provides an important step towards characterizing the complete photocycle dynamics of retinal proteins and demonstrates the feasibility of a sample efficient viscous medium jet for TR-SFX.
ContributorsNogly, Przemyslaw (Author) / Panneels, Valerie (Author) / Nelson, Garrett (Author) / Gati, Cornelius (Author) / Kimura, Tetsunari (Author) / Milne, Christopher (Author) / Milathianaki, Despina (Author) / Kubo, Minoru (Author) / Wu, Wenting (Author) / Conrad, Chelsie (Author) / Coe, Jesse (Author) / Bean, Richard (Author) / Zhao, Yun (Author) / Bath, Petra (Author) / Dods, Robert (Author) / Harimoorthy, Rajiv (Author) / Beyerlein, Kenneth R. (Author) / Rheinberger, Jan (Author) / James, Daniel (Author) / Deponte, Daniel (Author) / Li, Chufeng (Author) / Sala, Leonardo (Author) / Williams, Garth J. (Author) / Hunter, Mark S. (Author) / Koglin, Jason E. (Author) / Berntsen, Peter (Author) / Nango, Eriko (Author) / Iwata, So (Author) / Chapman, Henry N. (Author) / Fromme, Petra (Author) / Frank, Matthias (Author) / Abela, Rafael (Author) / Boutet, Sebastien (Author) / Barty, Anton (Author) / White, Thomas A. (Author) / Weierstall, Uwe (Author) / Spence, John (Author) / Neutze, Richard (Author) / Schertler, Gebhard (Author) / Standfuss, Jorg (Author) / College of Liberal Arts and Sciences (Contributor) / Department of Physics (Contributor) / Department of Chemistry and Biochemistry (Contributor) / Biodesign Institute (Contributor) / Applied Structural Discovery (Contributor) / School of Molecular Sciences (Contributor)
Created2016-08-22

From Narratives to Algorithms: Extending Archaeological Explanation beyond Archaeology

Description
The static, fragmentary archaeological record requires us to construct models of the human past. Traditionally, these have been narratives that make compelling stories but are difficult to evaluate. Recent advances in geospatial and agent-based modeling technology offers the potential to create quantitative models of human systems, but also challenge us…

The static, fragmentary archaeological record requires us to construct models of the human past. Traditionally, these have been narratives that make compelling stories but are difficult to evaluate. Recent advances in geospatial and agent-based modeling technology offers the potential to create quantitative models of human systems, but also challenge us to conceive of human societies in ways that can be expressed in algorithmic form. Besides making our own explanations more robust, integrating such quantitative modeling into archaeological practice can produce more useful accounts of human systems and their long-term dynamics for other disciplines and policy makers.|abstract
ContributorsBarton, C. Michael (Author)
Created2009

Climate Change and Socioecological Dynamics in Eastern Spain

ContributorsMiller, Alexandra E. (Author) / Barton, C. Michael (Author) / Schmich, Steven (Author) / McClure, Sarah (Author)
Created2008

Computational Modeling for Socioecological Systems Science

ContributorsBarton, C. Michael (Author)
Created2008

Modeling Long-term Socioecology: The Mediterranean Landscape Dynamics Project

Description

Invited presentation for "Next Generation Simulations of Human-Environmental Interactions," sponsored by the Santa Fe Institute and the University of Arizona, Tucson, 12-14 December, 2005.

ContributorsBarton, C. Michael (Author) / Sarjoughian, Hessam S. (Author) / Falconer, Steven E. (Contributor)
Created2005

Archaeoclimatology and Ancient Mediterranean Landscape Dynamics

ContributorsHill, J. Brett (James Brett), 1960- (Author) / Miller, Alexandra E. (Author) / Wentz, Elizabeth (Author) / Barton, C. Michael (Author)
Created2008

Human-Environment Interactions in a Changing Environment: A Computational Model of Agropastoral Practices and Landscapes in Neolithic Spain

ContributorsBergin, Sean M. (Author) / Ullah, Isaac I. T., 1979- (Author) / Barton, C. Michael (Author) / Gravel-Miguel, Claudine (Author)
Created2012

Land-Use, Water, and Mediterranean Landscapes: Modeling Long-Term Dynamics of Complex Socioecological Systems

ContributorsBarton, C. Michael (Author)
Created2009

Coupled Models for Coupled Systems: Land-Use and Landscape Dynamics in the Mediterranean

ContributorsBarton, C. Michael (Author) / Ullah, Isaac I. T., 1979- (Author) / Mayer, Gary R. (Author) / Sarjoughian, Hessam S. (Author) / Bergin, Sean M. (Author) / Miller, Alexandra E. (Author) / Mitasova, H. (Author)
Created2010

Coupled ABM-GIS Modeling of Agro-Pastoral Systems in Eastern Spain

ContributorsBergin, Sean M. (Author) / Ullah, Isaac I. T., 1979- (Author) / Barton, C. Michael (Author) / Mayer, Gary R. (Author) / Sarjoughian, Hessam S. (Author)
Created2010