forthcoming articles

The following articles are a selection of those recently accepted for publication in IUCrJ.

See also Forthcoming articles in all IUCr journals.

Accepted 11 September 2019

Throughput and resolution with a next-generation direct electron detector

The superior image quality given by the DE64 direct detector in counting mode is more important for high-resolution cryo-EM reconstructions than the superior throughput of the DE64 in integrating mode.

Accepted 10 September 2019

CryoEM at 100 keV: a demonstration and prospects

Several structures are determined by single-particle cryoEM at 100 keV; the implications for future electron cryomicroscopes is considered.

Accepted 9 September 2019

R\bar 3c-type LnNiO3 (Ln = La, Ce, Nd, Pm, Gd, Tb, Dy, Ho, Er, Lu) half-metals with multiple Dirac cones: a potential class of advanced spintronic materials

In this study, an experimentally synthesized DHM LaNiO3 is discovered with many Dirac cones and complete spin polarization near the Fermi level via first principles; it is also shown that the crystal structures of these materials are strongly correlated with their physical properties.

Accepted 5 September 2019

Consistency and variability of positional isomerism cocrystals: self-assembly evolution mechanism of supramolecular synthons of cresol–piperazine

The consistency and variability as well as self-assembly evolution mechanism of cresol–piperazine cocrystals is investigated by experiments and molecular simulation.

Accepted 5 September 2019

Crystal structure of the putative cyclase IdmH from the indanomycin nonribosomal peptide synthase/polyketide synthase

The crystal structure of IdmH from the biosynthetic gene cluster for indanomycin is presented. NMR data shows that this enzyme binds its postulated product, indanomycin, and QM/MM modelling of the reaction strongly supports the view that IdmH catalyses indane-ring formation in indanomycin biosynthesis via a Diels–Alder reaction.

Accepted 21 August 2019

High-throughput structures of protein–ligand complexes at room temperature using serial femtosecond crystallography

The ability to rapidly obtain structures of protein–ligand complexes using X-ray crystallography is central to drug discovery, but the typical cryocooling of samples and the effects of the X-ray beam may distort the observed ligand binding. X-ray free-electron lasers (XFELs) have the promise to solve these issues, but methods to rapidly produce structures of protein–ligand complexes at XFELs have not yet been realized. Here, an efficient solution using high-throughput, fixed-target serial femtosecond crystallography at an XFEL is demonstrated.

Accepted 16 August 2019

A comparative study of single-particle cryo-EM with liquid-nitrogen and liquid-helium cooling

Radiation damage is the most fundamental limitation for achieving high resolution in cryo-EM, and is expected to be reduced at liquid-helium temperature. Surprisingly, cryo-EM reconstructions of apoferritin samples cooled with liquid helium showed no improvement in resolution over liquid-nitro­gen-cooled samples, but showed substantially more beam-induced particle motion.

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