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Mix and Inject: Reaction Initiation by Diffusion for Time-Resolved Macromolecular Crystallography
Publications 1 Jan 2010 Contributor(s): Marius Schmidt
Time-resolved macromolecular crystallography unifies structure determination with chemical kinetics, since the structures of transient states and chemical and kinetic mechanisms can be determined simultaneously from the same data.… This has particular disadvantages that are circumvented when active substrate is directly provided…
https://www.bioxfel.org/resources/Mix-and-Inject:-Reaction-Initiation
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De novo protein crystal structure determination from X-ray free-electron laser data
Publications 9 Jan 2014 Contributor(s): Marc Messerschmidt
The determination of protein crystal structures is hampered by the need for macroscopic crystals.… So far, all protein structure determinations carried out using FELs have been based on previous knowledge of related, known structures.… Using the emerging technique of serial femtosecond crystallography, we…
https://www.bioxfel.org/resources/De-novo-protein-crystal-structure
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In vivo protein crystallization opens new routes in structural biology
Publications 1 Mar 2012 Contributor(s): Uwe Weierstall, Petra Fromme, Mark S. Hunter, Marc Messerschmidt, John Spence, Henry Chapman
Protein crystallization in cells has been observed several times in nature.
https://www.bioxfel.org/resources/In-vivo-protein-crystallization-opens
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Publications 1 Jan 2014 Contributor(s): Marius Schmidt, Brenda Hogue
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X-ray lasers for structural and dynamic biology
Publications 1 Oct 2012 Contributor(s): Uwe Weierstall, John Spence, Henry Chapman
Research opportunities and techniques are reviewed for the application of hard x-ray pulsed free-electron lasers (XFEL) to structural biology. These include the imaging of protein nanocrystals, single particles such as viruses, pump--probe experiments for time-resolved nanocrystallography, and snapshot wide-angle x-ray scattering (WAXS) from…
https://www.bioxfel.org/resources/X-ray-lasers-for-structural-and
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Protein structural ensembles are revealed by redefining X-ray electron density noise
Publications 7 Jan 2014 Contributor(s): James Holton
To increase the power of X-ray crystallography to determine not only the structures but also the motions of biomolecules, we developed methods to address two classic crystallographic problems: putting electron density maps on the absolute scale of e(-)/A(3) and calculating the noise at every point in the map.… Analyzing the…
https://www.bioxfel.org/resources/Protein-structural-ensembles-are-revealed
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Serial femtosecond crystallography of G protein-coupled receptors
Publications 20 Dec 2013 Contributor(s): Vadim Cherezov, Uwe Weierstall, Petra Fromme, Marc Messerschmidt, John Spence, James Holton, Henry Chapman, Garrett Charles Nelson, Christopher Kupitz, Applications Manager
X-ray crystallography of G protein-coupled receptors and other membrane proteins is hampered by difficulties associated with growing sufficiently large crystals that withstand radiation damage and yield high-resolution data at synchrotron sources. We used an x-ray free-electron laser (XFEL) with individual 50-femtosecond-duration x-ray pulses to…
https://www.bioxfel.org/resources/Serial-femtosecond-crystallography-of-G
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Single mimivirus particles intercepted and imaged with an X-ray laser
Publications 3 Feb 2011 Contributor(s): Uwe Weierstall, Stefan Hau-Riege, Petra Fromme, Matthias Frank, Mark S. Hunter, Marc Messerschmidt, Marius Schmidt, John Spence, Henry Chapman
X-ray lasers offer new capabilities in understanding the structure of biological systems, complex materials and matter under extreme conditions.… The continuous diffraction pattern of non-crystalline objects permits oversampling and direct phase retrieval. Here we show that high-quality diffraction data can be obtained with a…
https://www.bioxfel.org/resources/Single-mimivirus-particles-intercepted-and
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Femtosecond X-ray protein nanocrystallography
Publications 3 Feb 2011 Contributor(s): Uwe Weierstall, Stefan Hau-Riege, Petra Fromme, Matthias Frank, Mark S. Hunter, Marc Messerschmidt, Marius Schmidt, John Spence, James Holton, Henry Chapman
X-ray crystallography provides the vast majority of macromolecular structures, but the success of the method relies on growing crystals of sufficient size.… It is particularly challenging to obtain large, well-diffracting crystals of membrane proteins, for which fewer than 300 unique structures have been determined despite their…
https://www.bioxfel.org/resources/Femtosecond-X-ray-protein-nanocrystallography
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Publications 1 Jan 2011 Contributor(s): Marius Schmidt, Daniel Tsung-tai Lee
2014
https://www.bioxfel.org/resources/Reply-to-'Contradictions-in-X-ray
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The Coherent X-ray Imaging Data Bank
Publications 1 Jan 2011 Contributor(s): Nadia Zatsepin
www.cxidb.orgThe Coherent X-ray Imaging Data Bank (CXIDB) is a database offering scientists access to data from Coherent X-ray Imaging (CXI) experiments, including serial femtosecond crystallography and single particle imaging.www.cxidb.orgThe Coherent X-ray Imaging Data BankFilipe R N C MaiaNature Methods 9, 854–855 (2012)…
https://www.bioxfel.org/resources/The-Coherent-X-ray-Imaging-Data
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Time-resolved protein nanocrystallography using an X-ray free-electron laser
Publications 30 Jan 2012 Contributor(s): Uwe Weierstall, Stefan Hau-Riege, Petra Fromme, Matthias Frank, Mark S. Hunter, Marc Messerschmidt, Marius Schmidt, John Spence, James Holton, Henry Chapman
We demonstrate the use of an X-ray free electron laser synchronized with an optical pump laser to obtain X-ray diffraction snapshots from the photoactivated states of large membrane protein complexes in the form of nanocrystals flowing in a liquid jet.… The result correlates with the microsecond kinetics of electron transfer from…
https://www.bioxfel.org/resources/Time-resolved-protein-nanocrystallography-using-an
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Time-resolved crystallography and protein design
Publications 1 Jan 2013
https://www.bioxfel.org/resources/Time-resolved-crystallography-and-protein-design
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FD 171: Approaches to time-resolved diffraction using an XFEL
Publications 1 Jan 2011 Contributor(s): John Spence
https://www.bioxfel.org/resources/FD-171:-Approaches-to-time-resolved
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Coherent Convergent-Beam Time-resolved X-ray Diffraction
Publications 1 Jan 2011 Contributor(s): John Spence, Applications Manager
https://www.bioxfel.org/resources/Coherent-Convergent-Beam-Time-resolved-X-ray-Diffraction
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Publications 1 Jan 2013
https://www.bioxfel.org/resources/Singular-Value-Decomposition-as-a
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Publications 1 Jan 2010 Contributor(s): Marius Schmidt, Dilano Saldin
https://www.bioxfel.org/resources/Enzyme-transient-state-kinetics-in
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Publications 1 Jan 2011
https://www.bioxfel.org/resources/Opportunities-and-challenges-for-time-resolved
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Publications 5 Dec 2014 Contributor(s): Tom Grant
Authors: Tenboer, J., Basu, S., Zatsepin, N., Pande, K.… , Frank, M., Hunter, M., Boutet, S., Williams, G. J., Koglin, J. E., Oberthuer, D., Heymann, M., Kupitz, C., Conrad, C., Coe, J., Roy-Chowdhury, S., Weierstall, U., James, D., Wang, D., Grant, T., Barty, A., Yefanov, O., Scales, J., Gati, C., Seuring, C., Srajer, V., Henning,…
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Publications 10 Feb 2014 Contributor(s): Henry Chapman
The first hard X-ray laser, the Linac Coherent Light Source (LCLS), produces 120 shots per second. Particles injected into the X-ray beam are hit randomly and in unknown orientations by the extremely intense X-ray pulses, where the femtosecond-duration X-ray pulses diffract from the sample before the particle structure is significantly changed even…
https://www.bioxfel.org/resources/Automated-identification-and-classification-of
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Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Publications 11 Sep 2014 Contributor(s): Tom Grant
Authors: Kupitz, C., Basu, S., Grotjohann, I., Fromme, R., Zatsepin, N. A., Rendek, K.… , Hunter, M. S., Shoeman, R. L., White, T. A., Wang, D., James, D., Yang, J. H., Cobb, D. E., Reeder, B.… G., Liu, H., Barty, A., Aquila, A. L., Deponte, D.… A., Bari, S., Bergkamp, J. J., Beyerlein, K. R.,…
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Structure-factor analysis of femtosecond microdiffraction patterns from protein nanocrystals
Publications 1 Mar 2011 Contributor(s): Petra Fromme, Mark S. Hunter, Marius Schmidt, John Spence, James Holton, Henry Chapman
A complete set of structure factors has been extracted from hundreds of thousands of femtosecond single-shot X-ray microdiffraction patterns taken from randomly oriented nanocrystals. The method of Monte Carlo integration over crystallite size and orientation was applied to experimental data from Photosystem I nanocrystals. This arrives at…
https://www.bioxfel.org/resources/Structure-factor-analysis-of-femtosecond-microdiffraction



