First high-resolution synchrotron X-ray study of icosahedrite, a natural quasicrystal from the Khatyrka meteorite

Quasicrystals are long-range-ordered materials with rotational symmetry incompatible with periodicity. Takakura et al. [(2025). IUCrJ 12, 435–443] present a study of a single grain of icosahedrite, the first natural icosahedral quasicrystal, which was found in a meteorite in 2009. Through detailed analysis of the diffraction peaks, they conclude that natural AlCuFe is an icosahedral quasicrystal superimposed by a phasonic modulation along the fivefold directions, which is similar to that observed in the synthetic quasicrystal. Based on knowledge of the synthesis and phase stability of icosahedral AlCuFe, they discuss the formation of icosahedrite in the meteorite.

Illuminating DNA repair in action: structural insights into a photocaged glycosylase complex

Structural analysis of the co-crystal between human DNA glycosylase hOGG1 and a light-sensitive substrate analog highlights its utility as a platform for real-time observation of catalytic dynamics.

Revisiting the co-crystal structure of a DNA glycosylase with photocaged substrate: a suitable time-resolved crystallography target?

Engineered in crystallo photosensitivity in a DNA-repair enzyme is carefully assessed for its suitability as a target for time-resolved crystallographic studies.

Low-energy tetrahedral networks for carbon and silicon from (2+1)-regular bipartite-like graphs

This study identifies carbon crystal structures as 4-degree quotient graphs and proposes a novel approach for generating 3D 4-coordinate networks using 2D (2+1)-regular bipartite-like graphs. Through a random group and graph theory (RG2) method, we discover 509 new structures, including two low-energy phases (Pbam48 and Pbam40) that exhibit exceptional stability and potential applications as superhard carbon and quasi-direct band gap silicon materials in mechanical processing and solar photovoltaic technologies.

High-quality ultra-fast total scattering and pair distribution function data using an X-ray free-electron laser

This work demonstrates that high-quality ultra-fast total scattering data and pair distribution function data can be obtained from a single ∼30 fs pulse at the European XFEL, achieving a record Q range of up to 16.6 Å⁻¹. These results establish XFELs as powerful tools for probing atomic scale structures on ultra-fast timescales, opening new opportunities for studying dynamic processes in disordered and complex materials.

Discovery of an energy-dependent many-body process in the Kβ spectrum of manganese metal using extended-range high-energy-resolution fluorescence detection with advanced structural insights from principal component analysis

A new satellite is discovered in the manganese Kβ spectrum using extended-range high-energy-resolution fluorescence detection. Advanced insights on its structure and evolution are extracted with principal component analysis.

Subtomogram averages of mitochondrial ATP synthase dimers from plants show a conserved extra density at the peripheral stalk

Electron cryo-tomography of ATP synthase dimers in plant mitochondria indicates a wide dimer angle and a plant-specific subunit in the peripheral stalk.

Highlighting radical sites through polarized neutron scattering from AFP-modulated polarized protons

Selective nuclear spin reversal by the method of adiabatic fast passage is a way to order a system of dynamically polarized nuclei. Using polarized neutron scattering, it increases the visibility of sources and sinks of proton polarization in radical proteins. Notably, Tyr369 has been confirmed as a potential radical site in bovine liver catalase.

Time-resolved serial synchrotron and serial femtosecond crystallography of heme proteins using photocaged nitric oxide

We demonstrate the application of a nitric oxide releasing photocage system for time-resolved serial crystallography studies of two heme containing proteins using a fixed target sample delivery system. Optimal parameters for successful photocage activation and nitric oxide release are explored.

Unravelling venetoclax solvate behaviour: insights from crystal structures and computational surface analysis

Seven venetoclax solvates were structurally characterized and studied for their desolvation behaviour, leading to the identification of two solvent-free polymorphs. Advanced crystallographic and computational analyses, including Solvate Analyser, CSD-Particle, FTIR and solid-state NMR, revealed key factors governing solvate stability and transformation. Notably, the acetone solvate exhibited exceptional stability and the desolvated forms retained the molecular arrangement of their parent solvates.