issue contents

ISSN: 2052-2525

January 2021 issue

Early view articles

Journal cover

feature articles

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In this text based on the 2018 Lonsdale lecture, beginning with early work by Kathleen Lonsdale, instructive examples are given of unusual and unexpected structures derived from X-ray crystallography, not all of which are genuine results.

research papers

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Machine-learning approaches can greatly facilitate single-particle-imaging experiments at X-ray free-electron-laser facilities by providing real-time images from the coherent X-ray diffraction data stream, using methods presented in this article.

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Using small-angle neutron scattering with contrast-matching of the lipidic cubic phase (LCP) bilayer, we determined that bacteriorhodopsin (bR) and detergents are largely dissociated upon incorporation into the LCP. This implies that the crystallization of membrane proteins in LCP is relatively insensitive to the choice of detergent, unlike the solution case, and this was experimentally verified with several detergents for bR.

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The atomic, magnetic and nano-structure of hydro­thermally synthesized non-stoichiometric spinel iron oxide nanoparticles are examined in detail using a wide range of advanced structural characterization methods. The present study constitutes the first use of the recently developed magnetic pair-distribution-function analysis method to model the local magnetic structure in nanoparticles.

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The joint neutron/X-ray crystallographic structure of perdeuterated Aspergillus flavus urate oxidase in complex with the inhibitor 8-azaxanthine and a catalytic water bound in the peroxo hole is presented together with an integrated analysis using biomolecular simulations.
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