forthcoming articles

The following articles are a selection of those recently accepted for publication in Acta Crystallographica Section D: Structural Biology.

See also Forthcoming articles in all IUCr journals.

Accepted 6 December 2016

Structural studies of substrate and product complexes of 5-aminolaevulinic acid dehydratase from humans, Escherichia coli and the hyperthermophile Pyrobaculum calidifontis

X-ray structures of the enzyme 5-aminolaevulinate dehydratase (ALAD) purified from human blood, as well as the recombinant human form and the ALAD from the hyperthermophilic archaeon Pyrobaculum calidifontis, are reported, together with the structure of E. coli ALAD co-crystallized with a noncovalently bound moiety of the product, porphobilinogen (PBG). The structures give insight into the zinc-dependence of these enzymes, the possible role of electrostatics in substrate funnelling and details of the interactions made by the bound pyrrole end-product.

Accepted 2 December 2016

Solution of the structure of a calmodulin–peptide complex in a novel configuration from a variably twinned data set

A description is given of the structure solution of a nearly perfectly hemihedrally twinned novel calmodulin–peptide complex by molecular replacement in combination with single-wavelength anomalous diffraction. The resulting structure revealed a unique mode of peptide–calmodulin interaction in which the peptide is bent to nearly 90° within the calmodulin-binding pocket.

Accepted 2 December 2016

A pipeline approach to single-particle processing in RELION

The formal description of a workflow to cryo-EM structure determination in the RELION program allows standardization of procedures and on-the-fly image processing during data acquisition.

Accepted 14 November 2016

Polder maps: improving OMIT maps by excluding bulk solvent

Residual OMIT maps can be improved by the selective exclusion of bulk solvent from the OMIT region.

Accepted 14 November 2016

Structure and conformational plasticity of the U6 small nuclear ribonucleoprotein core

A crystal structure of the U6 snRNP core from yeast shows that mutation of the U6 internal stem-loop (ISL) does not alter the overall topology of the snRNP, but suggests structural plasticity in the ISL.

Accepted 21 October 2016

Strategies for carbohydrate model building, refinement and validation

This article addresses many of the typical difficulties that a structural biologist may face when dealing with carbohydrates, with an emphasis on problem solving in the resolution range where X-ray crystallography and electron cryo-microscopy are expected to overlap in the next decade.

Accepted 13 October 2016

Combining X-ray and neutron crystallography with spectroscopy

The use of neutron crystallography and in situ spectroscopy to study enzyme mechanism is discussed.

Accepted 12 October 2016

Twilight reloaded: the peptide experience

The potential causes of the severe misinterpretation of peptide density in a significant number of protein–peptide complex structures are analyzed, together with suggestions for good practice and specific education aimed at minimizing overinterpretation and mistakes in protein–peptide complex structure models.

Accepted 9 September 2016

Using more than 801 296 small-molecule crystal structures to aid in protein structure refinement and analysis

A guide to how the Cambridge Structural Database can be used to aid macromolecular crystallography.


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