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 22 February 2017

Low-dose fixed-target serial synchrotron crystallography

A time- and sample-efficient approach for serial collection of room-temperature diffraction data using a fixed target at a synchrotron is demonstrated.

Accepted 16 February 2017

Crystal structures of Hsp104 N-terminal domains from Saccharomyces cerevisiae and Candida albicans suggest the mechanism for the function of Hsp104 in dissolving prions

The crystal structures of the Hsp104 N-terminal domains from S. cerevisiae (ScHsp104NTD) and C. albicans (CaHsp104NTD) were determined to high resolution. The structures of ScHsp104NTD and CaHsp104NTD reveal that yeast Hsp104 N-terminal domain may utilize a conserved putative peptide-binding groove to interact with misfolded polypeptides.

Accepted 14 February 2017

Biochemical and structural studies on Mycobacterium smegmatis MutT1, a sanitization enzyme with unusual modes of association

In eight of the nine crystal structures of MsMutT1 reported here, an arrangement is observed in which domain 1 of one molecule and domain 2 of a neighbouring molecule (trans domain 2) are brought into close proximity, with ligand-binding sites at the interface between the two domains. This and other structural observations, along with biochemical results, lead to a plausible proposal for the mechanism of action of the enzyme.

Accepted 9 February 2017

1.8 Å resolution crystal structure of the carbapenem intrinsic resistance protein CarF

The crystal structure of the carbapenem-resistance protein CarF has been determined at 1.8 Å resolution. CarF confers partial intrinsic resistance to the naturally occurring antibiotic 1-carbapen-2-em-3-carboxylic acid.

Accepted 9 February 2017

`Atomic resolution': a badly abused term in structural biology

The term `atomic resolution' is very often abused in presenting macromolecular structures.

Accepted 8 February 2017

Is dimerization a common feature in thioredoxins?: the case of thioredoxin from Litopenaeus vannamei

This study of shrimp thioredoxin sheds new light on the existence of monomeric and dimeric populations in solution. It is demonstrated that the Cys73 residue is essential for dimer formation and that the Cys73Ser mutant has the same activity as the wild type.

Accepted 8 February 2017

Crystal structures of human 3-hydroxyanthranilate 3,4-dioxygenase with native and non-native metals bound in the active site

Two structures of human 3-hydroxyanthranilate 3,4-dioxygenase, one with iron bound at the active site and one with zinc bound at the active site, are reported.

Accepted 13 January 2017

Dissecting random and systematic differences between noisy composite data sets

A multidimensional scaling analysis of pairwise correlation coefficients is presented which positions data sets in a sphere with unit radius of an abstract, low-dimensional space at radii inversely proportional to their levels of random error and at spherical angles related to their mutual systematic differences. This reduction in dimensionality can not only be used for classification purposes, but also to derive data-set relations on a continuous scale.

Accepted 12 January 2017

Data mining of iron(II) and iron(III) bond-valence parameters, and their relevance for macromolecular crystallography

Using all available metal-containing organic compound structures in the Cambridge Structural Database, a novel data-driven method to derive bond-valence R0 parameters was developed. While confirming almost all reference literature values, we observe two distinct populations of FeII—N and FeIII—N bonds, which are interpreted as low-spin and high-spin states of the coordinating iron. Based on the R0 parameters derived here, guidelines for the modeling of iron–ligand distances in macromolecular structures are suggested.

Accepted 2 January 2017

Crystal structure and RNA-binding properties of an Hfq homolog from the deep-branching Aquificae: conservation of the lateral RNA-binding mode

The structure of an Hfq homolog from the deep-branching thermophilic bacterium A. aeolicus, determined to 1.5 Å resolution both in the apo form and bound to a uridine-rich RNA, reveals a conserved, pre-organized RNA-binding pocket on the lateral rim of the Hfq hexamer.

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.


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