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 15 October 2018

Elucidation of the mechanism of interaction between Klebsiella pneumoniae pullulanase and cyclodextrin

Crystal structures of K. pneumoniae pullulanase (KPP) in complex with α-, β- or γ-cyclodextrin were determined at around 1.98–2.59 Å resolution. Cyclodextrins interact with CBM41 and the active site of KPP. In the active site, Phe746 interacts with the inner cavity of the cyclodextrin rings. The strong inhibition of KPP by β-cyclodextrin is caused by the optimized interaction between β-cyclodextrin and the side chain of Phe746. These structures and the kinetic parameters of recombinant pullulanase and the F746A variant revealed the importance of Phe746 in the selective binding of cyclodextrins.

Accepted 11 October 2018

Biochemistry and Molecular Biology, 6th edition

The sixth edition of Biochemistry and Molecular Biology by edited by Despo Papachristodoulou, Alison Snape, William H. Elliott and Daphne C. Elliott is reviewed.

Accepted 6 October 2018

Crystal structure of an Lrs14-like archaeal biofilm regulator from Sulfolobus acidocaldarius

A detailed analysis of a winged helix-turn-helix family transcriptional regulator that positively regulates archaeal biofilm formation is reported.

Accepted 20 September 2018

CAB: a cyclic automatic model-building procedure

The program Buccaneer has been integrated in a cyclic automatic model-building procedure. improving its efficiency and accuracy.

Accepted 18 September 2018

Improving the accuracy and resolution of neutron crystallographic data by three-dimensional profile fitting of Bragg peaks in reciprocal space

It is demonstrated that using three-dimensional profile fitting of Bragg peaks increases the accuracy and resolution of neutron crystallographic data collected from proteins and reveals new features in nuclear density maps calculated from these data.

Accepted 17 September 2018

Resolving indexing ambiguities in XFEL diffraction patterns

Here we present an automated method that diagnoses indexing ambiguities and produces a consistent indexing choice for the large majority of diffraction images.

Accepted 14 September 2018

Crystal structure of native α-L-rhamnosidase from Aspergillus terreus

The crystal structure of α-L-rhamnosidase, a biotechnologically important enzyme isolated from A. terreus, reveals its active-site architecture, domain organization and native glycosylation.

Accepted 12 September 2018

High-throughput quantum-mechanics/molecular-mechanics (ONIOM) macromolecular crystallographic refinement with PHENIX/DivCon: the impact of mixed Hamiltonian methods on ligand and protein structure

Quantum-mechanics/molecular-mechanics (ONIOM) X-ray macromolecular refinement using the program DivCon integrated with PHENIX is reported.

Accepted 3 September 2018

Structures of two fimbrial adhesins, AtfE and UcaD, from the uropathogen Proteus mirabilis

The crystal structures of two fimbrial adhesins from the uropathogen P. mirabilis are reported as a first step towards unveiling their role in pathogenesis. Despite lacking significant sequence homology, the two structures are very similar.

Accepted 31 August 2018

Processing serial crystallography data with CrystFEL: a step-by-step guide

A step-by-step guide to processing serial crystallography data using CrystFEL for XFELs and synchrotron sources.

Accepted 24 August 2018

Status of the neutron time-of-flight single-crystal diffraction data-processing software STARGazer

In this article, the status of the STARGazer data-processing software and its data-processing algorithms are described in detail. The STARGazer data-processing software is used for neutron time-of-flight single-crystal diffraction data collected using the IBARAKI Biological Crystal Diffractometer.

Accepted 20 August 2018

Structure of VDAC-tethered bilayer lipid membranes determined using neutron reflectivity

Using neutron reflectivity, we provide a comprehensive structural characterization of each step in the formation of a protein-tethered bilayer lipid membrane. We report relevant physical parameters of self-assembled monolayers, surface-captured detergent-stabilized protein, and the bilayer lipid membrane reconstituted by dialysis around the surface-captured tethering proteins.

Accepted 16 July 2018

Resolving polymorphs and radiation-driven effects in microcrystals using fixed-target serial synchrotron crystallography

Multiple dose-dependent room-temperature structures of copper nitrite reductase were determined from microcrystals in a single silicon nitride fixed-target chip. The separation of crystal polymorphs into distinct structures is described, together with the characterization of X-ray-irradiation effects through the dose series.


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