Macromolecular nanocrystal structural analysis with electron and X-rays: A comparative review

Crystallography has long been the unrivaled method that can provide the atomistic structural models of macromolecules, using either X-rays or electrons as probes. The methodology has gone through several revolutionary periods, driven by the development of new sources, detectors, and other instrumentation. Novel sources of both X-ray and electrons are constantly emerging. The increase in brightness of these sources, complemented by the advanced detection techniques, has relaxed the traditionally strict need for large, high quality, crystals. Recent reports suggest high-quality diffraction datasets from crystals as small as a few hundreds of nanometers can be routinely obtained. This has resulted in the genesis of a new field of macromolecular nanocrystal crystallography. Here we will make a brief comparative review of this growing field focusing on the use of X-rays and electrons sources

THz streak camera performance for single-shot characterization of XUV pulses with complex temporal structures

The THz-field-driven streak camera has proven to be a powerful diagnostic-technique that enables the shot-to-shot characterization of the duration and the arrival time jitter of free electron laser (FEL) pulses. Here we investigate the performance of three computational approaches capable to determine the duration of FEL pulses with complex temporal structures from single-shot measurements of up to three simultaneously recorded spectra. We use numerically simulated FEL pulses in order to validate the accuracy of the pulse length retrieval in average as well as in a single-shot mode. We discuss requirements for the THz field strength in order to achieve reliable results and compare our numerical study with the analysis of experimental data that were obtained at the FEL in Hamburg - FLASH. © 2020 Optical Society of America under the terms of the OSA Open Access Publishing Agreemen

Generation of Uniform X-ray Illumination and Its Application to X-ray Diffraction Microscopy

X-ray diffraction microscopy (XDM) is an established lens-less imaging method extensively practiced at synchrotrons and X-ray free-electron lasers (XFELs). XDM is broadly operated in two different modes: scanning and non-scanning. The non-scanning mode of operation in XDM is commonly called coherent diffraction imaging (CDI) and has been the key research direction of many XFEL facilities. This method typically images objects smaller than the size of the illumination, which precludes the imaging of a large group of samples physically larger than the illumination. Furthermore, satisfying this requirement at X-ray free-electron lasers tremendously reduces the volume of practically useful data, leading the experimental scheme to be less efficient. Such a limitation can be circumvented by using a uniform illumination probe rather than the traditional Gaussian-focused probe from the X-ray focusing optics. Here in this article, we report a numerical study on the design of an optical element to generate uniform X-ray illumination and its application to the CDI. We demonstrate the benefits of such illumination in imaging objects that are larger than the illumination size and in improving the efficiency of the experimental scheme overall

Multi-Lane Mirror for Broadband Applications of the Betatron X-ray Source

A new generation of small-scale ultrafast X-ray sources is rapidly emerging. Laser-driven betatron radiation represents an important class of such ultrafast X-ray sources. With the sources driving towards maturity, many important applications in material and biological sciences are expected to be carried out. While the last decade mainly focused on the optimization of the source properties, the development of such sources into user-oriented beamlines in order to explore the potential applications has recently taken off and is expected to grow rapidly. An important aspect in the realization of such beamlines will be the implementation of proper X-ray optics. Here, we present the design of a multi-lane X-ray mirror as a versatile focusing device covering a wide spectral range of betatron X-rays. The expected photon flux in the focal plane of such optics was also estimated through geometrical simulations

Kilohertz Macromolecular Crystallography Using an EIGER Detector at Low X-ray Fluxes

Time-resolved in-house macromolecular crystallography is primarily limited by the capabilities of the in-house X-ray sources. These sources can only provide a time-averaged structure of the macromolecules. A significant effort has been made in the development of in-house laser-driven ultrafast X-ray sources, with one of the goals as realizing the visualization of the structural dynamics of macromolecules at a very short timescale within the laboratory-scale infrastructure. Most of such in-house ultrafast X-ray sources are operated at high repetition rates and usually deliver very low flux. Therefore, the necessity of a detector that can operate at the repetition rate of the laser and perform extremely well under low flux conditions is essential. Here, we present experimental results demonstrating the usability of the hybrid-pixel detectors, such as Eiger X 1M, and provide experimental proof that they can be successfully operated to collect macromolecular crystallographic data up to a detector frame rate of 3 kHz from synchrotron sources. Our results also show that the data reduction and structural analysis are successful at such high frame rates and fluxes as low as 10(8) photons/s, which is comparable to the values expected from a typical laser-driven X-ray source

THz streak camera performance for single-shot characterization of XUV pulses with complex temporal structures

The THz-field-driven streak camera has proven to be a powerful diagnostic-technique that enables the shot-to-shot characterization of the duration and the arrival time jitter of free electron laser (FEL) pulses. Here we investigate the performance of three computational approaches capable to determine the duration of FEL pulses with complex temporal structures from single-shot measurements of up to three simultaneously recorded spectra. We use numerically simulated FEL pulses in order to validate the accuracy of the pulse length retrieval in average as well as in a single-shot mode. We discuss requirements for the THz field strength in order to achieve reliable results and compare our numerical study with the analysis of experimental data that were obtained at the FEL in Hamburg - FLASH

A multipurpose end-station for atomic, molecular and optical sciences and coherent diffractive imaging at ELI beamlines

We report on the status of a users' end-station, MAC: a Multipurpose station for Atomic, molecular and optical sciences and Coherent diffractive imaging, designed for studies of structure and dynamics of matter in the femtosecond time-domain. MAC is located in the E1 experimental hall on the high harmonic generation (HHG) beamline of the ELI Beamlines facility. The extreme ultraviolet beam from the HHG beamline can be used at the MAC end-station together with a synchronized pump beam (which will cover the NIR/Vis/UV or THz range) for time-resolved experiments on different samples. Sample delivery systems at the MAC end-station include a molecular beam, a source for pure or doped clusters, ultrathin cylindrical or flat liquid jets, and focused beams of substrate-free nanoparticles produced by an electrospray or a gas dynamic virtual nozzle combined with an aerodynamic lens stack. We further present the available detectors: electron/ion time-of-flight and velocity map imaging spectrometers and an X-ray camera, and discuss future upgrades: a magnetic bottle electron spectrometer, production of doped nanodroplets and the planned developments of beam capabilities at the MAC end-station