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 27 April 2016

Recovery of data from perfectly twinned virus crystals revisited

We reimplement and release an iterative method for map recovery for perfectly merohedrally twinned crystals in the presence of non-crystallographic symmetry and provide an independent metric of success.

Accepted 26 April 2016

Biochemical and structural characterization of Klebsiella pneumoniae oxamate amido­hydrolase in the uric acid degradation pathway

A structure of Klebsiella pneumoniae HpxW, an oxamate amidohydrolase, has been determined and the kinetics of the wild type enzyme and two active site variants have been characterized. Based on these data, a mechanism for the HpxW-catalysed reaction is proposed.

Accepted 19 April 2016

Identification of the critical linker residues conferring differences in the compactness of DENV-4 NS5 from Dengue virus serotypes 1–3


Accepted 16 April 2016

Effect of impurities and post-experiment purification in SAD phasing with SFX data

The effect of sample impurities on SFX SAD phasing has been studied using simulated data. It was found that a small amount of impurities can seriously affect the results, while post-experimental purification is capable of improving the result to nearly that from a pure sample.

Accepted 14 April 2016

Transferable aspherical atom model refinement of protein and DNA structures against ultrahigh-resolution X-ray data

This paper presents the advantages of using the transferable aspherical atom model of macromolecular structure refinement against ultrahigh-resolution X-ray data over the classic independent atom model approach in terms of final crystallographic statistics, the description of atomic displacement parameters and the quality of electron-density maps.

Accepted 14 April 2016

DNA polymorphism in crystals: three stable conformations for the decadeoxynucleotide d(GCATGCATGC)

The DNA decamer d(GCATGCATGC) crystallizes in three distinct conformations on minor changes in the crystallization condition. Two different conformations (double-fold and B-type helix) are present in the same unit cell.

Accepted 8 April 2016

A crystallographic study of human NONO (p54nrb): overcoming pathological problems with purification, data collection and noncrystallographic symmetry

The structure determination of the NONO homodimer is reported, detailing the challenges in protein purification and identifying and overcoming overlapping reflections.

Accepted 2 April 2016

Novel protein–inhibitor interactions in site 3 of Ca2+-bound S100B as discovered by X-ray crystallography

A structure-based drug-discovery program is under way in order to identify and develop small-molecule inhibitors of S100B for the treatment of malignant melanoma. X-ray crystallographic analysis of two S100B inhibitors reveals newly identified inhibitor–target interactions within site 3 of Ca2+-bound S100B. These data contribute to the structural biology knowledge base for this target, which is important for rational drug-design efforts.

Accepted 1 April 2016

Thermal contraction of aqueous glycerol and ethylene glycol solutions for optimized protein-crystal cryoprotection

Measurements of the T = 77 K glass-phase densities of drops with volumes down to 70 pl are used to determine the concentration-dependent thermal contraction of aqueous glycerol and ethylene glycol solutions. Applications in optimizing cryocrystallographic outcomes by matching the contractions of external and internal solvent to those of the crystal and internal solvent spaces are discussed.

Accepted 29 March 2016

On the influence of crystal size and wavelength on native SAD phasing

Diffraction experiments were carried out at different wavelengths (1.9, 2.7, 3.0 and 3.3 Å) using lysozyme and ferredoxin reductase crystals of various sizes to investigate the influence on native SAD phasing.

Accepted 23 March 2016

Impact of the crystallization condition on importin-β conformation

Two crystal structure forms of the highly flexible HEAT-repeat protein importin-β from C. thermophilum obtained under divergent crystallization conditions revealed different conformations. SAXS experiments and the analysis of other pairs of importin-β complex structures retrieved from the Protein Data Bank suggest that an increase in the PEG present in the crystallization condition leads to a more elongated conformation of importin-β.

Accepted 23 March 2016

Crystal structure of a dimerization domain of human Caprin-1: insights into the assembly of an evolutionarily conserved ribonucleoprotein complex consisting of Caprin-1, FMRP and G3BP1

Crystal structures of a fragment (residues 132–251) of human Caprin-1 shed lights onto the homodimerization of Caprin-1 and its interactions with partner proteins.


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