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 8 June 2018

Grazing-incidence small-angle X-ray scattering (GISAXS) on small periodic targets using large beams. Erratum

Accepted 6 June 2018

Rapid sample delivery for megahertz serial crystallography at X-ray FELs

Sample delivery is a major challenge to perform serial crystallography experiments at upcoming high repetition-rate X-ray free-electron lasers. We have studied the feasibility of using gas-driven liquid jets for this purpose at the FLASH facility in Hamburg.

Accepted 4 June 2018

Structural characterization of free-state and product-state Mycobacterium tuberculosis me­thionyl-tRNA synthetase reveals an induced-fit ligand-recognition mechanism

Structural characterization of M. tuberculosis methionyl-tRNA synthetase provides valuable information for antibacterial drug development.

Accepted 4 June 2018

Do the basic crystal chemistry principles agree with a plethora of recent quantum chemistry data?

Electron descriptors such as bond order and electron density at the bond critical point are key quantities in establishing the nature of chemical bonding. This paper analyzes a plethora of quantum chemistry data available in the literature to confirm exponential correlations between these electron descriptors and the interatomic distances for any type of chemical bond.

Accepted 4 June 2018

Identification of a tyrosine switch in copper-haem nitrite reductases

Structural characterization of the copper-haem nitrite reductase (haem CuNiR) from Ralstonia pickettii (RpNiR) revealed a tyrosine residue blocking the substrate-entry channel and binding site. The treatment of crystals with NO triggers a movement of tyrosine that allows NO- and NO2-bound species to be captured to provide the first information on ligand-bound species in this class of nitrite reductases. The use of tyrosine as a switch in activating the redox enzyme RpNiR may have wider significance as this tyrosine is found to be totally conserved in all known haem CuNiRs.

Accepted 27 May 2018

Double role of metalloporphyrins in catalytic bioinspired supramolecular metal–organic frameworks (SMOFs)

Bioinspired metalloporphyrin-based supramolecular MOFs have been successfully tested for heterogeneous catalytic applications.

Accepted 21 May 2018

Structural flexibility of halogen bonds showed in a single-crystal-to-single-crystal [2+2] photodimerization

Single-crystal-to-single-crystal (SCSC) reactions are rare for organic solids. We describe the first example of an SCSC [2+2] photodimerization that is mediated by halogen bonding.

Accepted 17 May 2018

Exploiting superspace to clarify vacancy and Al/Si ordering in mullite

New superspace models with different modulation amplitudes indicate that any degree of ordering, from disordered to ordered, can be observed in mullite.

Accepted 16 May 2018

Comments on `Hydrogen bonds in crystalline D-alanine: diffraction and spectroscopic evidence for differences between enantiomers'

The recent claim of structural differences between alanine enantiomers in the solid state is critically discussed.

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