28 papers · ranked by Valyu relevance
Bruce Steiner, Masao Kuriyama, Ronald C. Dobbyn, Uri Laor
Structural information of special interest to crystal growers and device physicists is now available from high resolution monochromatic synchrotron diffraction imaging (topography). In this review, the importance of superior resolution in momentum transfer and in space is described, and illustrations are taken from a…
Ilham Zaky Wilson, J. Steven Swinnea, Leela Raghava Jaidev Chakka, Mohammed Maniruzzaman
Cocrystals have emerged as an exciting avenue in the pharmaceutical industry for altering the behavior of drugs while preserving the molecular structures of the active pharmaceutical ingredients (APIs). However, the preparation of pharmaceutical cocrystals remains relatively uncommon, presenting a potential opportunity…
Y. L. Zhang, Huirong Qi, Z. Wen, Haiying Wang + 4 more
'Yuanbo Chen' 'Juan Zhang' 'Bitao Hu'] ABSTRACT: A triple-GEM detector with two-dimensional readout is developed. The detector provides high position resolution for powder diffraction experiments at synchrotron radiation. Spatial resolution of the detector is measured in the lab using a 55Fe X-ray source. A resolution…
Claire A. Murray, Jonathan Potter, Sarah J. Day, Annabelle R. Baker + 5 more
'Stephen P. Thompson' 'Jon Kelly' 'Christopher G. Morris' 'Sihai Yang' 'Chiu C. Tang'] The world’s first dedicated synchrotron instrument for long-duration experiments has been built and commissioned at Diamond Light Source. The new beamline I11 user facility is designed for the study of slow kinetics in…
Masaki Yamamoto, Takashi Kumasaka, J. R. Helliwell
This paper presents the development of instrumentation and macromolecular crystallography methods at the third-generation synchrotron facility SPring-8 and X-ray free electron laser facility SACLA. The aim is to facilitate rapid structural analysis from highly challenging protein crystals.
S. L. S. Storm, D. Axford, R. L. Owen
X-ray induced radiation damage is a limiting factor for the macromolecular crystallographer and data must often be merged from many crystals to yield complete datasets for structure solution of challenging samples. Increasing the X-ray energy beyond the typical 10-15 keV range promises to provide an extension of…
Michael G. Rossmann
A brief history is given of how X-ray diffraction data from crystals have been recorded. Today there are new possibilities, spawned by the availability of free electron lasers that produce powerful femtosecond long X-ray pulses.
Maciej Jankowski, Valentina Belova, Yuriy Chushkin, Federico Zontone + 4 more
'Matteo Levantino' 'Theyencheri Narayanan' 'Oleg Konovalov' 'Annalisa Pastore'] The Complex System and Biomedical Sciences (CBS) group at the European Synchrotron Radiation Facility (ESRF) in Grenoble is dedicated to the study of a broad family of materials and systems, including soft and hard condensed matter…
Swagatha Ghosh, Analia Banacore, Per Norder, Monika Bjelcic + 10 more
Fixed-target platforms provide convenient support for microcrystals during serial X-ray crystallography studies using synchrotron radiation. Here, we describe a simple, user-friendly 3D-printed support where the crystals are sandwiched between two layers of thin X-ray transparent membrane resulting in very low…
Catherine Dejoie, Stef Smeets, Christian Baerlocher, Nobumichi Tamura + 3 more
We have mimicked the 4%-energy-bandpass mode of the SwissFEL beam at a synchrotron facility, collected snapshots of randomly oriented multi-crystal samples, and developed a methodology to index and process such non-monochromatic data for materials science applications.
P. Mehrabi, R. Bücker, G. Bourenkov, H.M. Ginn + 21 more
For the two proteins myoglobin (MB) and fluoroacetate dehalogenase (FAcD), we present a systematic comparison of crystallographic diffraction data collected by serial femtosecond (SFX) and serial synchrotron crystallography (SSX). To maximize comparability, we used the same batch of crystals, the same sample delivery…
Ivan A. Vartanyants, Oleksandr Yefanov
We present here an overview of Coherent X-ray Diffraction Imaging (CXDI) with its application to nanostructures. This imaging approach has become especially important recently due to advent of X-ray Free-Electron Lasers (XFEL) and its applications to the fast developing technique of serial X-ray crystallography. We…
Doğa Gürsoy, Dina Sheyfer, Michael Wojcik, Wenjun Liu + 1 more
'Jonathan Z. Tischler'] Coded apertures, traditionally employed in x-ray astronomy for imaging celestial objects, are now being adapted for micro-scale applications, particularly in studying microscopic specimens with synchrotron light diffraction. In this paper, we focus on micro-coded aperture imaging and its…
Harold R. Powell
The method of molecular structure determination by X-ray crystallography is a little over a century old. The history is described briefly, along with developments in X-ray sources and detectors. The fundamental processes involved in measuring diffraction patterns on area detectors, i.e. autoindexing, refining crystal…
Svitozar Serkez, Vitali Kocharyan, Evgeni Saldin, Igor Zagorodnov + 2 more
'Gianluca Geloni' 'Oleksander Yefanov'] Femtosecond x-ray nanocrystallography exploiting XFEL radiation is an emerging method for protein structure determination using crystals with sizes ranging from a few tens to a few hundreds nanometers. Crystals are randomly hit by XFEL pulses, producing diffraction patterns at…
A. Dunge, C. Phan, O Uwangue, M. Bjelcic + 4 more
Structure-based drug design is highly dependent on the availability of structures of the protein of interest in complex with lead compounds. Ideally, this information can be used to guide the chemical optimization of a compound into a pharmaceutical drug candidate. A limitation of the main structural method used today…
Xinmei Li, Shuangbo Zhang, Fei Sun
MicroED (micro electron diffraction) is an emerging technique to use cryo-electron microscope to study the crystal structure of macromolecule from its micro/nano-crystals, which are not suitable for conventional X-ray crystallography. However, this technique has been prevented for its wide application by the limited…
Pablo Villanueva-Pérez, Bill Pedrini, Rajmund Mokso, Patrik Vagovič + 7 more
'Vitaliy A. Guzenko' 'Steven Leake' 'P. R. Willmott' 'Peter Oberta' 'Christian Dávid' 'Henry N. Chapman' 'Marco Stampanoni'] Obtaining 3D information from a single X-ray exposure at highbrilliance sources, such as X-ray free-electron lasers (XFELs) [1] or diffraction-limited storage rings [2], allows the study of fast…
Robert Bücker, Pascal Hogan-Lamarre, Pedram Mehrabi, Eike C. Schulz + 7 more
We describe a new method for serial electron diffraction of protein nano-crystals using a conventional S/TEM microscope. Here, randomly dispersed crystals are mapped, and dose-efficient diffraction patterns measured at each identified position for structure determination. This fully automated workflow is suitable for…
Piero Gasparotto, Luis Barba, Hans-Christian Stadler, Greta Assmann + 5 more
Serial Crystallography (SX) involves the processing of thousands of diffraction patterns coming from crystals in random orientations. To compile a complete dataset, these patterns must be indexed (i.e., determine orientation), integrated, and merged. We introduce the TORO (TOrch-powered Robust Optimization) Indexer, a…
Marius Schmidt
The focus of structural biology is shifting from the determination of static structures to the investigation of dynamical aspects of macromolecular function. With time-resolved macromolecular crystallography (TRX), intermediates that form and decay during the macromolecular reaction can be investigated, as well as…
Kejian Qu, Hrishikesh Bale, Zachary Riedel, Junehu Park + 3 more
Single crystals of rhombohedral KBiS2 were synthesized for the first time, and the structure, growth habit and properties of this layered semiconductor are presented. The single crystals form from a reactive K2S5 salt flux and are still embedded in the residual flux, without removal from the reaction vessel throughout…
Authors not listed
3D electron diffraction (3D-ED) techniques can be used for structure determination, circumventing challenges posed to conventional and bulk X-ray diffraction techniques such as sub-micron sized crystals, the strong effects of texture, the presence of defects, and polyphasic samples. Such challenges previously prevented…
Dan Shi, Brent L Nannenga, Matthew G Iadanza, Tamir Gonen + 1 more
'Stephen C Harrison'] We demonstrate that it is feasible to determine high-resolution protein structures by electron crystallography of three-dimensional crystals in an electron cryo-microscope (CryoEM). Lysozyme microcrystals were frozen on an electron microscopy grid, and electron diffraction data collected to 1.7 Å…
Henry N. Chapman, Chufeng Li, S. Bajt, Mansi Butola + 16 more
'J. Lukas Dresselhaus' 'Dmitry Egorov' 'Holger Fleckenstein' 'N. G. Ivanov' 'Antonia Kiene' 'Bjarne Klopprogge' 'Viviane Kremling' 'Philipp Middendorf' 'D. Oberthüer' 'Mauro Prasciolu' 'Emilie Scheer' 'Janina Sprenger' 'Jia Chyi Wong' 'Oleksandr Yefanov' 'Margarita Zakharova' 'Wenhui Zhang'] Henry N. Chapman,1, 2, 3…
Niko Vlahakis, Songrong Qu, Logan Richards, Lygia Silva deMoraes + 3 more
Electron counting helped realize the resolution revolution in single particle cryoEM and is now accelerating the determination of MicroED/3DED structures. Its advantages are best demonstrated by new direct electron detectors capable of fast (kilohertz) event-based electron counting (EBEC). This strategy minimizes the…
Authors not listed
Careful control over the defect chemistry of crystalline compounds is typically critical to transport phenomena (ion, electron, phonon, etc.). In battery materials, particularly in one-dimensional (1D) ion conductors, even small concentrations of defects in the diffusion pathway can be pernicious. Wadsley–Roth block…
Niko Vlahakis, Arden Clauss, Jose Rodriguez
High-energy electrons induce sample damage and motion at the nanoscale to fundamentally limit determination of molecular structures by electron diffraction. Using fast event-based electron counting (EBEC) detectors, we characterize electron beam-induced crystal lattice reorientations (BIR) that appear to broadly affect…