The three-dimensional structures of macromolecules and their complexes are predominantly elucidated by X-ray protein crystallography. A major limitation is access to high-quality crystals, to ensure X-ray diffraction extends to sufficiently large scattering angles and hence yields sufficiently high-resolution information that the crystal structure can be solved. The observation that crystals with shrunken unit-cell volumes and tighter macromolecular packing often produce higher-resolution Bragg peaks1,2 hints that crystallographic resolution for some macromolecules may be limited not by their heterogeneity but rather by a deviation of strict positional ordering of the crystalline lattice. Such displacements of molecules from the ideal lattice give rise to a continuous diffraction pattern, equal to the incoherent sum of diffraction from rigid single molecular complexes aligned along several discrete crystallographic orientations and hence with an increased information content3. Although such continuous diffraction patterns have long been observed—and are of interest as a source of information about the dynamics of proteins4 —they have not been used for structure determination. Here we show for crystals of the integral membrane protein complex photosystem II that lattice disorder increases the information content and the resolution of the diffraction pattern well beyond the 4.5 Å limit of measurable Bragg peaks, which allows us to directly phase5 the pattern. With the molecular envelope conventionally determined at 4.5 Å as a constraint, we then obtain a static image of the photosystem II dimer at 3.5 Å resolution. This result shows that continuous diffraction can be used to overcome long-supposed resolution limits of macromolecular crystallography, with a method that puts great value in commonly encountered imperfect crystals and opens up the possibility for model-free phasing6,7.
Viscous sample delivery that decreases the net protein consumed in serial femtosecond crystallography is described. The agarose stream has a low background, is compatible with membrane proteins and can be used at a wide range of temperatures.
Crystal structure determination of biological macromolecules using the novel technique of serial femtosecond crystallography (SFX) is severely limited by the scarcity of X-ray free-electron laser (XFEL) sources. However, recent and future upgrades render microfocus beamlines at synchrotron-radiation sources suitable for room-temperature serial crystallography data collection also. Owing to the longer exposure times that are needed at synchrotrons, serial data collection is termed serial millisecond crystallography (SMX). As a result, the number of SMX experiments is growing rapidly, with a dozen experiments reported so far. Here, the first high-viscosity injector-based SMX experiments carried out at a US synchrotron source, the Advanced Photon Source (APS), are reported. Microcrystals (5-20 mm) of a wide variety of proteins, including lysozyme, thaumatin, phycocyanin, the human A 2A adenosine receptor (A 2A AR), the soluble fragment of the membrane lipoprotein Flpp3 and proteinase K, were screened. Crystals suspended in lipidic cubic phase (LCP) or a high-molecular-weight poly(ethylene oxide) (PEO; molecular weight 8 000 000) were delivered to the beam using a high-viscosity injector. In-house data-reduction (hit-finding) software developed at APS as well as the SFX datareduction and analysis software suites Cheetah and CrystFEL enabled efficient on-site SMX data monitoring, reduction and processing. Complete data sets were collected for A 2A AR, phycocyanin, Flpp3, proteinase K and lysozyme, and the structures of A 2A AR, phycocyanin, proteinase K and lysozyme were determined at 3.2, 3.1, 2.65 and 2.05 Å resolution, respectively. The data demonstrate the feasibility of serial millisecond crystallography from 5-20 mm crystals using a high-viscosity injector at APS. The resolution of the crystal structures obtained in this study was dictated by the current flux density and crystal size, but upcoming developments in beamline optics and the planned APS-U upgrade will increase the intensity by two orders of magnitude. These developments will enable structure determination from smaller and/or weakly diffracting microcrystals.
A magnetic skyrmionium (also called 2 π -skyrmion) can be understood as a skyrmion—a topologically nontrivial magnetic whirl—which is situated in the center of a second skyrmion with reversed magnetization. Here, we propose a new optoelectrical writing and deleting mechanism for skyrmioniums in thin films, as well as a reading mechanism based on the topological Hall voltage. Furthermore, we point out advantages for utilizing skyrmioniums as carriers of information in comparison to skyrmions with respect to the current-driven motion. We simulate all four constituents of an operating skyrmionium-based racetrack storage device: creation, motion, detection and deletion of bits. The existence of a skyrmionium is thereby interpreted as a ‘1’ and its absence as a ‘0’ bit.
Ensembles of magnetic skyrmions in confined geometries are shown to exhibit thermally driven motion on two different time scales. The intrinsic fluctuating dynamics (t ∼ 1 ps) is governed by short-range symmetric and antisymmetric exchange interactions, whereas the long-time limit (t 10 ns) is determined by the coaction of skyrmion-skyrmion-repulsion and the system's geometry. Micromagnetic simulations for realistic island shapes and sizes are performed and analyzed, indicating the special importance of skyrmion dynamics at finite temperatures. We demonstrate how the competition between skyrmion mobility and observation time directly affects the addressability of skyrmionic bits, which is a key challenge on the path of developing skyrmion-based room-temperature applications. The presented quasiparticle Monte Carlo approach offers a computationally efficient description of the diffusive motion of skyrmion ensembles in confined geometries, like racetrack memory setups.Magnetic skyrmions 1-3 are quasiparticles which are considered as possible carriers of information for future storage devices. Their specific chirality is determined by the antisymmetric Dzyaloshinskii-Moriya exchange interaction (DMI) 4,5 . The DMI can be induced by a broken inversion symmetry in a crystal itself (e.g. MnSi) 2 or by interfacing a heavy metal layer (e.g. Pt, W, Ir) with a ferromagnetic material (e.g. Fe, Co) 6,7 .Conceptually the utilization of these topologically nontrivial 8 quasiparticles in so-called racetrack setups is of great interest 9-11 : Skyrmions can be manipulated (written and deleted) 12,13 and addressed individually 14-16 on a magnetic stripe, allowing a memory device extension from a pure surface density into the third dimension by pushing the quasiparticle-hole-train back and forth, e.g. by applying electrical currents 17,18 . The low threshold driving current 19 along with the small size and high stability of the skyrmions are key features of this concept.To connect experimental and theoretical model systems with technological applications, investigating the influence of finite temperatures is of crucial importance. The bits on a racetrack-based memory device need to fulfill two main features, stability against external perturbations and addressability. Both are affected by thermal fluctuations, as shown below.The stability of skyrmions was examined in several publications over the last years 20-24 . Rózsa et al. 21 investigated theoretically periodic two-dimensional Pd/Fe double-layers on Ir(111) and determined the phase diagram as a function of external field and temperature, which includes field-polarized, skyrmion lattice, spin spiral, fluctuation-disordered and paramagnetic regions. Skyrmion lifetimes in the fluctuationdisordered regime were calculated. The lifetimes of isolated skyrmions in racetrack geometries for Pd/Fe/Ir(111) and Co/Pt(111) systems were investigated in Refs. 22,23 , and different mechanisms were revealed for the collapse of a skyrmion inside the track and at the boundary.The diffusive motion...
Low-energy eigenmode excitations of ferromagnets are spin waves or magnons that can be triggered and guided in magnonic circuits without Ohmic losses and hence are attractive for communicating and processing information. Here we present new types of spin waves that carry a definite and electrically controllable orbital angular momentum (OAM) constituting twisted magnon beams. We show how twisted beams emerge in magnonic waveguides and how to topologically quantify and steer them. A key finding is that the topological charge associated with OAM of a particular beam is tunable externally and protected against magnetic damping. Coupling to an applied electric field via the Aharanov-Casher effect allows for varying the topological charge. This renders possible OAM-based robust, low-energy consuming multiplex magnonic computing, analogously to using photonic OAM in optical communications, and high OAM-based entanglement studies, but here at shorter wavelengths, lower energy consumption, and ready integration in magnonic circuits.
Topologically distinct magnetic structures like skyrmions, domain walls, and the uniformly magnetized state have multiple applications in logic devices, sensors, and as bits of information. One of the most promising concepts for applying these bits is the racetrack architecture controlled by electric currents or magnetic driving fields. In state-of-the-art racetracks, these fields or currents are applied to the whole circuit. Here, we employ micromagnetic and atomistic simulations to establish a concept for racetrack memories free of global driving forces. Surprisingly, we realize that mixed sequences of topologically distinct objects can be created and propagated over far distances exclusively by local rotation of magnetization at the sample boundaries. We reveal the dependence between chirality of the rotation and the direction of propagation and define the phase space where the proposed procedure can be realized. The advantages of this approach are the exclusion of high current and field densities as well as its compatibility with an energy-efficient three-dimensional design.
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