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  1. No Access

    Article

    Gaussian processes for autonomous data acquisition at large-scale synchrotron and neutron facilities

    The execution and analysis of complex experiments are challenged by the vast dimensionality of the underlying parameter spaces. Although an increase in data-acquisition rates should allow broader querying of t...

    Marcus M. Noack, Petrus H. Zwart, Daniela M. Ushizima in Nature Reviews Physics (2021)

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    Open Access

    Free-electron laser data for multiple-particle fluctuation scattering analysis

    Fluctuation X-ray scattering (FXS) is an emerging experimental technique in which solution scattering data are collected using X-ray exposures below rotational diffusion times, resulting in angularly anisotrop...

    Kanupriya Pande, Jeffrey J. Donatelli, Erik Malmerberg, Lutz Foucar in Scientific Data (2018)

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    Article

    Structure of photosystem II and substrate binding at room temperature

    The structures of three intermediate states of photosystem II, which is crucial for photosynthesis, have been solved at room temperature, shedding new light on this process.

    Iris D. Young, Mohamed Ibrahim, Ruchira Chatterjee, Sheraz Gul in Nature (2016)

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    Article

    No observable conformational changes in PSII

    Nicholas K. Sauter, Nathaniel Echols, Paul D. Adams, Petrus H. Zwart, Jan Kern in Nature (2016)

  5. Article

    Correction: Corrigendum: Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers

    Nat. Methods 11, 545–548 (2014); published online 16 March 2014; corrected after print 3 June 2015 In the version of this article initially published, the authors claimed that with the tool cctbx.xfel, weak di...

    Johan Hattne, Nathaniel Echols, Rosalie Tran, Jan Kern, Richard J Gildea in Nature Methods (2015)

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    Article

    Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy

    The dioxygen we breathe is formed by light-induced oxidation of water in photosystem II. O2 formation takes place at a catalytic manganese cluster within milliseconds after the photosystem II reaction centre is e...

    Jan Kern, Rosalie Tran, Roberto Alonso-Mori, Sergey Koroidov in Nature Communications (2014)

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    Article

    Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers

    A computational approach and software tool, cctbx.xfel, enables the determination of accurate macromolecular structure factors using a relatively small number of serial femtosecond crystallography diffraction ...

    Johan Hattne, Nathaniel Echols, Rosalie Tran, Jan Kern, Richard J Gildea in Nature Methods (2014)

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    Article

    Studies of IscR reveal a unique mechanism for metal-dependent regulation of DNA binding specificity

    The bacterial metalloregulator IscR possesses the unusual ability to direct differential gene expression via specific recognition of two distinct operator motifs in an Fe-S–dependent manner. New work shows tha...

    Senapathy Rajagopalan, Sarah J Teter in Nature Structural & Molecular Biology (2013)

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    Article

    Hybrid molecular structure of the giant protease tripeptidyl peptidase II

    Tripeptidyl peptidase II is an eukaryotic serine protease that forms huge, spindle-shaped homopolymeric complexes, whose building block is an enzymatically inactive dimer. Now a combination of cryo-EM and crys...

    Crystal K Chuang, Beate Rockel, Gönül Seyit in Nature Structural & Molecular Biology (2010)