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At least 703 records · Page 39

Likelihood-based molecular-replacement solution for a highly pathological crystal with tetartohedral twinning and sevenfold translational noncrystallographic symmetry

With the implementation of a molecular-replacement likelihood target that accounts for translational noncrystallographic symmetry, it became possible to solve the crystal structure of a protein with seven tetrameric assemblies arrayed translationally along the c axis. The new algorithm found 56 protein molecules in reduced symmetry (P1), which was used to resolve space-group ambiguity caused by severe twinning. Translational noncrystallographic symmetry (tNCS) is a pathology of protein crystals in which multiple copies of a molecule or assembly are found in similar orientations. Structure solution is problematic because this breaks the assumptions used in current likelihood-based methods. To cope with such cases, new likelihood approaches have been developed and implemented in Phaser to account for the statistical effects of tNCS in molecular replacement. Using these new approaches, it was possible to solve the crystal structure of a protein exhibiting an extreme form of this pathology with seven tetrameric assemblies arrayed along the c axis. To resolve space-group ambiguities caused by tetartohedral twinning, the structure was initially solved by placing 56 copies of the monomer in space group P1 and using the symmetry of the solution to define the true space group, C2. The resulting structure of Hyp-1, a pathogenesis-related class 10 (PR-10) protein from the medicinal herb St John’s wort, reveals the binding modes of the fluorescent probe 8-anilino-1-naphthalene sulfonate (ANS), providing insight into the function of the protein in binding or storing hydrophobic ligands.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Developing a Reduced 240-Bus WECC Dynamic Model for Frequency Response Study of High Renewable Integration

The ongoing changes in the generation resource mix, driven by the rapid adoption of inverter-based resources (IBR) as well as the early retirement of synchronous generators, are bringing new challenges to the planning and operation of bulk electric power systems. Consequently, there is an increasing need to understand, design, and quantify the reliability service provision from IBRs by performing integrated scheduling and dynamic simulations. However, test systems that have consistent scheduling and dynamic models rarely exist largely because of the decoupled nature of the two simulations on a synchronous generator-dominated system. This paper develops the dynamic model of a reduced Western Electricity Coordinating Council (WECC) system. In conjunction with the existing scheduling model, it is suitable for integrating scheduling and dynamic simulations. The reduced 240-bus WECC model reflects the generation resource mix of the Western Interconnection as of 2018. Moreover, the developed dynamic model is validated against field frequency events measured by FNET/GridEye and preserves the dominant inter-area oscillation mode in WECC.

dynamic simulation↗

Ubiquitous Interplay Between Charge Ordering and High-Temperature Superconductivity in Cuprates

Copper-oxide superconductors have a complex electronic structure. A charge density order has been observed in two cuprate families; however, it has been unclear whether such an order exists in Bi-based compounds (see the Perspective by Morr). Comin et al. (p. 390, published online 19 December) and da Silva Neto et al. (p. 393, published online 19 December) address this question in single-layer and double-layer Bibased cuprates, respectively. For both families of materials, surface measurements by scanning tunneling spectroscopy agree with bulk measurements obtained through resonant elastic x-ray scattering, which suggests the formation of short-range correlations that modulate the charge density of the carriers over a range of dopings. Thus, charge ordering may represent a common characteristic of the major cuprate families.

da Silva Neto, Eduardo H.↗

Studies of basic mechanisms occurring in high pressure gases: Applications to high efficiency high power lasers

The atomic fluorine laser was investigated. In the hollow cathode, lasing on Fluorine transitions in the doublet system lasted for up to 80 microns with no signs of self-termination. The excitation process of the laser appears to depend heavily upon the fluorine donor utilized. For instance, a single step process is involved when NF3 is used whereas a two step process is evident for SF6. The details are discussed.

Crane, J. K., III↗