The first fully automated small-molecule robotic X-ray diffractometer is described. After demonstrating the utility of the instrument using multiple samples of ammonium bitartrate, we investigated the conformational chirality of diphenyl dichalcogenide (E(2)Ph(2), where E = S, Se, or Te). Structural and computational studies suggest that the two enantiomers are energetically indistinguishable. ...

Serial femtosecond X-ray crystallography (SFX) has created new opportunities in the field of structural analysis of protein nanocrystals. The intensity and timescale characteristics of the X-ray free-electron laser sources used in SFX experiments necessitate the analysis of a large collection of individual crystals of variable shape and quality to ultimately solve a single, average crystal stru...

The reported data describe the crystallization, crystal packing, structure determination and twinning of the unliganded Fab (antigen-binding fragment) from the NISTmAb (standard reference material 8671). The raw atomic coordinates are available as Protein Data Bank structure 5K8A and biological aspects are described in the article, (Karageorgos et al., 2017) [1]. Crystal data show that the pack...

PURPOSE Rapid development of nanotechnology has recently brought significant attention to the extraordinary biological features of nanomaterials. The objective of the present investigation was to evaluate morphological characteristics of the assembles of gold and platinum nanoparticles (nano-Au and nano-Pt respectively), with Salmonella Enteritidis (Gram-negative) and Listeria monocytogenes (Gr...

Applications of structural databases in the protein crystallographic structure determination process are reviewed, using mostly examples from work carried out by the authors. Four application areas are discussed: model building, model refinement, model validation and model analysis.

X-ray free-electron lasers produce brief flashes of X-rays that are of about a billion times higher peak brightness than achievable from storage ring sources. Such a tremendous jump in X-ray source capabilities, that came in 2009 when the Linac Coherent Light Source begun operations, was unprecedented in the history of X-ray science. Protein structure determination through the method of macromo...

Institute for Molecular Bioscience, University of Queensland, Queensland Bioscience Precinct, Brisbane, QLD 4072, Australia, Cambridge Institute for Medical Research, Department of Haematology, University of Cambridge, Wellcome Trust/MRC Building, Hills Road, Cambridge CB2 0XY, United Kingdom, and Photon Science, SLAC and Structural Biology, School of Medicine, Stanford University, 2575 Sand Hi...

CHESS activity report F many years, most synchrotron stations for crystallography, such as CHESS A1, used X-ray sensitive film as the primary detector and xray radiation at about 8 keV (1.5 Å). Two years ago CHESS constructed station F1 on a wiggler line that is tuneable from about 7-14 keV. In practice, this station operates with a standard energy of 0.91 Å. The benefits of using higher energi...

The crystallography of icosahedral crystals is constructed. The actual three-dimensional crystal is represented by a three-dimensional cut in a regular six-dimensional periodic crystal with symmetry described by a six-dimensional space group, and the positions of atoms correspond to an arrangement of hypersurface segments. The resulting crystal can not in general be viewed as a space-filling ar...