issue contents

ISSN: 2052-2525

July 2016 issue

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Articles published recently in IUCrJ continue to exemplify the developments and challenges in the structural science of materials.

scientific commentaries

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Serial crystallography at a synchrotron has been used to obtain time-resolved atomic resolution density maps of enzyme catalysis in copper nitrite reductase. Similar XFEL studies, intended to out-run radiation damage, will also soon appear.

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Higher-dimensional structure analysis of quasicrystals is now possible. Yamada et al. [IUCrJ (2016), 3, 247–258] have solved the atomic structure of icosahedral ScZn7.33 including the characteristic imperfections.

research papers

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Reported here are the isolation and direct observation of extremely reactive S2 and its conversion into bent-S3 via a cyclo-S32+ intermediate on interactive sites in porous coordination networks.

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A charge-density model of urea was calculated using quantum theory and was refined against publicly available ultra-high-resolution X-ray diffraction data. The quantum model differs from a multipole model but agrees comparably with the data; quantum crystallography therefore can provide unique and accurate charge density models.

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The detailed atomic structure of the binary icosahedral ScZn7.33 quasicrystal has been investigated by means of high-resolution synchrotron single-crystal X-ray diffraction and absolute scale measurements of diffuse scattering.

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Serial crystallography has been used to drive copper nitrite reductase through its enzymatic cycle while sampling the same volume of a single cryogenically maintained crystal. A structural movie of X-ray-driven enzyme catalysis has thus been obtained, revealing the structural changes that occur during the catalytic reaction in unprecedented detail.

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This article presents the features and structures of protein crystals naturally grown in vivo within developing embryos of the only known viviparous cockroach, D. punctata. This study reveals the heterogeneous nature of the crystalline protein with respect to amino-acid sequence, glycosylation and bound fatty acid at atomic resolution.
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