issue contents

ISSN: 2052-2525

May 2021 issue

Early view articles

Journal cover

editorial


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Biomedical challenges such as the present COVID-19 pandemic require both good science and excellent communication between scientists and the general public. This underscores the importance of presenting our science in innovative ways that make it accessible to all.

research letters


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A 2.0 Å resolution cryo-EM structure of a thermostable bacterial nanocompartment is reported, with the high-resolution structure allowing the visualization of key details and new proposed biological functions.

research papers


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This work shows the importance of counterintuitive ultra long distances, intramolecular preagostic attractive C—H⋯Ni/Cu and C—H⋯O, C—H⋯H—C contacts and a bunch of other extremely strong non-classic mainly London dispersion driven intermolecular interactions involving C—H bonds: C—H⋯X (X = H—C, N, O, π) in the crystal structures of the NiII and CuII based complexes fabricated from the sterically crowding cyclo­hexyl-containing Schiff base dyes. Photophysical properties of the reported complexes are also discussed.

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The first crystal structure of a type II toxin–antitoxin complex structure of Klebsiella pneumoniae at 2.3 Å resolution is presented. Mutational experiments and cell-growth assays confirm Arg28 and Thr51 as critical residues for MazF ribonuclease activity.

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Perdeuteration and in vitro refolding of hen egg-white lysozyme impact protein thermal stability and activity. Deuteration appears to primarily affect enzymatic function through changes in protein dynamics, while refolding contributes to a small decrease in protein thermal stability.

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Synchrotron X-ray scattering data with high Q resolution, Q range and dynamic range are collected using the OHGI detector system, and excellent correspondence is achieved in structural refinements of the data in reciprocal and direct space.

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When biomedical crises strike, structural biologists worldwide respond by determining the structures of relevant proteins and their complexes, resulting in an avalanche of data that can be overwhelming without a resource designed to classify, annotate and validate them. An advanced information system is necessary to extract and infer knowledge from a deluge of uncurated and disjointed data and publications.

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A framework is described for the efficient and realistic simulation of X-ray diffraction scans to train machine- or deep-learning models like convolutional neural networks for the automatic phase-identification task in multiphase compounds.

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The X-ray structure of a nonselective sodium potassium ion channel reveals structural asymmetry in the selectivity filter of an integral membrane protein responsible for ion permeation. NMR studies showed the dynamical nature of the protein structure in the membrane, and molecular dynamics suggest different degrees of conformational plasticity are required for conducting potassium and sodium.

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A method for determining the sample flow rate and concomitant light condition in time-resolved serial femtosecond crystallography is developed to analyze the intermediate-state structures of photosystem II.

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Phase evolution was monitored during annealing of as-deposited amorphous zinc antimonide thin films using in situ X-ray diffraction and in situ X-ray total scattering coupled with electrical resistivity measurements.

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A model is proposed to describe the depolarization of a neutron beam traversing a ferromagnetic sample, provide the procedure for data correction and give guidelines to choose the optimum sample thickness. It is experimentally verified for a small-angle neutron-scattering geometry with samples of the nanocristalline soft-magnet Vitroperm (Fe73Si16B7Nb3Cu1).
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