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 21 July 2016

Structural basis for copper/silver binding by the Synechocystis metallochaperone CopM

The crystal structures of metallochaperone CopM from Synechocystis sp. PCC 6803 have been solved at 1.45–2.5 Å, which include apo, Cu+-bound, Ag+-bound and Cu2+-bound forms. A previously function-unknown domain was found to contain a conserved copper/silver binding motif.

Accepted 20 July 2016

The supramolecular structure of bone: X-ray scattering analysis and lateral structure modeling

The first interpretable X-ray scattering data concerning lateral (radial) packing of bone collagen molecules is presented, which indicates that bone contains spatially discrete collagen microfibrils. A spatially discrete microfibril model supports structure-function-based explanations for internal fibril mineralization, and for the unique pattern of collagen post-translational modifications in mineralized tissues.

Accepted 15 July 2016

RoboDiff: combining a sample changer and goniometer for highly automated macromolecular crystallography experiments

An industrial six-axis robot has been combined with a high-accuracy air-bearing rotation axis to create a single device with the capabilities of both transferring cryocooled protein crystals from a sample-containing dewar and collecting complete X-ray diffraction data sets.

Accepted 11 July 2016

Structural basis for the extended substrate spectrum of AmpC BER and structure-guided discovery of the inhibition activity of citrate against the class C β-lactamases AmpC BER and CMY-10

The extended substrate spectrum conferred by the increased flexibility of the R2 loop and the inhibition activity of citrate towards the class C β-lactamases AmpC BER and CMY-10 is reported.

Accepted 4 July 2016

Fixed target combined with spectral mapping: approaching 100% hit rates for serial crystallography

A sample-delivery system featuring high hit rates and minimal sample waste is presented for serial crystallography at XFELs and synchrotrons.

Accepted 1 July 2016

TakeTwo: an indexing algorithm suited to still images with known crystal parameters

A novel indexing method is presented that is well suited to the minimal information on a still image diffraction pattern and can achieve indexing rates of over one lattice per image.

Accepted 28 June 2016

The 1.1 Å resolution structure of a periplasmic phosphate-binding protein from Stenotrophomonas maltophilia: a crystallization contaminant identified by molecular replacement using the entire Protein Data Bank

The structure of a periplasmic phosphate-binding protein from S. maltophilia has been determined at 1.1 Å resolution. The protein crystallized as an impurity, which was eventually identified by a PDB-wide molecular-replacement search followed by refinement at atomic resolution.

Accepted 13 June 2016

WONKA and OOMMPPAA: analysis of protein–ligand interaction data to direct structure-based drug design

The background to and development of WONKA and OOMMPPAA, tools for structure-based drug design, is described.


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