Small-wedge synchrotron and serial XFEL datasets for Cysteinyl leukotriene GPCRs

AbstractStructural studies of challenging targets such as G protein-coupled receptors (GPCRs) have accelerated during the last several years due to the development of new approaches, including small-wedge and serial crystallography. Here, we describe the deposition of seven datasets consisting of X-ray diffraction images acquired from lipidic cubic phase (LCP) grown microcrystals of two human GPCRs, Cysteinyl leukotriene receptors 1 and 2 (CysLT1R and CysLT2R), in complex with various antagonists. Five datasets were collected using small-wedge synchrotron crystallography (SWSX) at the European Synchrotron Radiation Facility with multiple crystals under cryo-conditions. Two datasets were collected using X-ray free electron laser (XFEL) serial femtosecond crystallography (SFX) at the Linac Coherent Light Source, with microcrystals delivered at room temperature into the beam within LCP matrix by a viscous media microextrusion injector. All seven datasets have been deposited in the open-access databases Zenodo and CXIDB. Here, we describe sample preparation and annotate crystallization conditions for each partial and full datasets. We also document full processing pipelines and provide wrapper scripts for SWSX and SFX data processing.A Correction to this paper has been published: https://doi.org/10.1038/s41597-020-00759-w

Download Full-text

Transport and Dielectric Properties of Mechanosynthesized La2/3Cu3Ti4O12 Ceramics

Crystals ◽

10.3390/cryst11030313 ◽

2021 ◽

Vol 11 (3) ◽

pp. 313

Author(s):

Mohamad M. Ahmad ◽

Hicham Mahfoz Kotb ◽

Celin Joseph ◽

Shalendra Kumar ◽

Adil Alshoaibi

Keyword(s):

Dielectric Constant ◽

Sintering Temperature ◽

Cubic Phase ◽

X Ray Diffraction ◽

Boundary Conductivity ◽

X Ray ◽

Giant Dielectric ◽

Mechanochemical Milling ◽

Giant Dielectric Constant ◽

Lower Temperature

La2/3Cu3Ti4O12 (LCTO) powder has been synthesized by the mechanochemical milling technique. The pelletized powder was conventionally sintered for 10 h at a temperature range of 975–1025 °C, which is a lower temperature process compared to the standard solid-state reaction. X-ray diffraction analysis revealed a cubic phase for the current LCTO ceramics. The grain size of the sintered ceramics was found to increase from 1.5 ± 0.5 to 2.3 ± 0.5 μm with an increase in sintering temperature from 975 to 1025 °C. The impedance results show that the grain conductivity is more than three orders of magnitude larger than the grain boundary conductivity for LCTO ceramics. All the samples showed a giant dielectric constant (1.7 × 103–3.4 × 103) and dielectric loss (0.09–0.17) at 300 K and 10 kHz. The giant dielectric constant of the current samples was attributed to the effect of internal barrier layer capacitances due to their electrically inhomogeneous structure.

Download Full-text

Stacking Faults in a High Nitrogen Face-Centered-Cubic Phase Formed on Nitrogen-Modified Austenitic Stainless Steel

Key Engineering Materials ◽

10.4028/www.scientific.net/kem.373-374.318 ◽

2008 ◽

Vol 373-374 ◽

pp. 318-321

Author(s):

J. Liang ◽

M.K. Lei

Keyword(s):

Stainless Steel ◽

Plasma Source ◽

Peak Shift ◽

Cubic Phase ◽

Face Centered Cubic ◽

X Ray Diffraction ◽

High Nitrogen ◽

X Ray ◽

Peak Asymmetry ◽

Face Centered

Effects of stacking faults in a high nitrogen face-centered-cubic phase (γΝ) formed on plasma source ion nitrided 1Cr18Ni9Ti (18-8 type) austenitic stainless steel on peak shift and peak asymmetry of x-ray diffraction were investigated based on Warren’s theory and Wagner’s method, respectively. The peak shift from peak position of the γΝ phase is ascribed to the deformation faults density α, while the peak asymmetry of the γΝ phase is characterized by deviation of the center of gravity of a peak from the peak maximum (Δ C.G.) due to the twin faults density β. The calculated peak positions of x-ray diffraction patterns are consistent with that measured for plasma source ion nitrided 1Cr18Ni9Ti stainless steel.

Download Full-text

A Study on the Growth of Cubic GaN Films Using an AlGaAs Buffer Layer Grown on GaAs (100) by Plasma-Assisted Molecular Beam Epitaxy

MRS Proceedings ◽

10.1557/proc-639-g3.46 ◽

2000 ◽

Vol 639 ◽

Author(s):

Ryuhei Kimura ◽

Kiyoshi Takahashi ◽

H. T. Grahn

Keyword(s):

Molecular Beam Epitaxy ◽

Buffer Layer ◽

Molecular Beam ◽

High Energy ◽

Rf Plasma ◽

Cubic Phase ◽

X Ray Diffraction ◽

X Ray ◽

Cubic Gan

ABSTRACTAn investigation of the growth mechanism for RF-plasma assisted molecular beam epitaxy of cubic GaN films using a nitrided AlGaAs buffer layer was carried out by in-situ reflection high energy electron diffraction (RHEED) and high resolution X-ray diffraction (HRXRD). It was found that hexagonal GaN nuclei grow on (1, 1, 1) facets during nitridation of the AlGaAs buffer layer, but a highly pure, cubic-phase GaN epilayer was grown on the nitrided AlGaAs buffer layer.

Download Full-text

A Droplet-Based, Composite PDMS/Glass Capillary Microfluidic System for Evaluating Protein Crystallization Conditions by Microbatch and Vapor-Diffusion Methods with On-Chip X-Ray Diffraction

Angewandte Chemie International Edition ◽

10.1002/anie.200453974 ◽

2004 ◽

Vol 43 (19) ◽

pp. 2508-2511 ◽

Cited By ~ 259

Author(s):

Bo Zheng ◽

Joshua D. Tice ◽

L. Spencer Roach ◽

Rustem F. Ismagilov

Keyword(s):

Protein Crystallization ◽

Microfluidic System ◽

X Ray Diffraction ◽

Glass Capillary ◽

Vapor Diffusion ◽

X Ray ◽

Crystallization Conditions ◽

On Chip

Download Full-text

Human insulin polymorphism upon ligand binding and pH variation: the case of 4-ethylresorcinol

IUCrJ ◽

10.1107/s2052252515013159 ◽

2015 ◽

Vol 2 (5) ◽

pp. 534-544 ◽

Cited By ~ 12

Author(s):

S. Fili ◽

A. Valmas ◽

M. Norrman ◽

G. Schluckebier ◽

D. Beckers ◽

...

Keyword(s):

Human Insulin ◽

Organic Ligand ◽

European Synchrotron Radiation Facility ◽

X Ray Diffraction ◽

Ph Variation ◽

X Ray ◽

X Ray Crystallography ◽

Swiss Light Source ◽

Crystallization Experiments ◽

Ph Range

This study focuses on the effects of the organic ligand 4-ethylresorcinol on the crystal structure of human insulin using powder X-ray crystallography. For this purpose, systematic crystallization experiments have been conducted in the presence of the organic ligand and zinc ions within the pH range 4.50–8.20, while observing crystallization behaviour around the isoelectric point of insulin. High-throughput crystal screening was performed using a laboratory X-ray diffraction system. The most representative samples were selected for synchrotron X-ray diffraction measurements, which took place at the European Synchrotron Radiation Facility (ESRF) and the Swiss Light Source (SLS). Four different crystalline polymorphs have been identified. Among these, two new phases with monoclinic symmetry have been found, which are targets for the future development of microcrystalline insulin drugs.

Download Full-text

Low-Zpolymer sample supports for fixed-target serial femtosecond X-ray crystallography

Journal of Applied Crystallography ◽

10.1107/s1600576715010493 ◽

2015 ◽

Vol 48 (4) ◽

pp. 1072-1079 ◽

Cited By ~ 26

Author(s):

Geoffrey K. Feld ◽

Michael Heymann ◽

W. Henry Benner ◽

Tommaso Pardini ◽

Ching-Ju Tsai ◽

...

Keyword(s):

Protective Antigen ◽

Three Dimensional ◽

Two Dimensional ◽

X Ray Diffraction ◽

Fixed Target ◽

X Ray ◽

X Ray Crystallography ◽

Transmission Electron ◽

Linac Coherent Light Source ◽

Efficient Alternative

X-ray free-electron lasers (XFELs) offer a new avenue to the structural probing of complex materials, including biomolecules. Delivery of precious sample to the XFEL beam is a key consideration, as the sample of interest must be serially replaced after each destructive pulse. The fixed-target approach to sample delivery involves depositing samples on a thin-film support and subsequent serial introductionviaa translating stage. Some classes of biological materials, including two-dimensional protein crystals, must be introduced on fixed-target supports, as they require a flat surface to prevent sample wrinkling. A series of wafer and transmission electron microscopy (TEM)-style grid supports constructed of low-Zplastic have been custom-designed and produced. Aluminium TEM grid holders were engineered, capable of delivering up to 20 different conventional or plastic TEM grids using fixed-target stages available at the Linac Coherent Light Source (LCLS). As proof-of-principle, X-ray diffraction has been demonstrated from two-dimensional crystals of bacteriorhodopsin and three-dimensional crystals of anthrax toxin protective antigen mounted on these supports at the LCLS. The benefits and limitations of these low-Zfixed-target supports are discussed; it is the authors' belief that they represent a viable and efficient alternative to previously reported fixed-target supports for conducting diffraction studies with XFELs.

Download Full-text

X-ray diffraction study of oxygen-conducting compoundsLn2Mo2O9(Ln= La, Pr)

Acta Crystallographica Section B Structural Science Crystal Engineering and Materials ◽

10.1107/s2052520614006623 ◽

2014 ◽

Vol 70 (4) ◽

pp. 669-675 ◽

Cited By ~ 3

Author(s):

Alexander M. Antipin ◽

Olga A. Alekseeva ◽

Natalia I. Sorokina ◽

Alexandra N. Kuskova ◽

Michail Yu. Presniakov ◽

...

Keyword(s):

Room Temperature ◽

Cubic Phase ◽

X Ray Diffraction ◽

Ion Migration ◽

Transmission Microscopy ◽

Coordination Environment ◽

X Ray ◽

Oxygen Ions ◽

Oxygen Ion ◽

Oxygen Ion Migration

The La2Mo2O9(LM) and Pr2Mo2O9(PM) single crystals are studied using precision X-ray diffraction and high-resolution transmission microscopy at room temperature. The crystal structures are determined in the space groupP213. La and Pr atoms, as well as Mo1 and O1 atoms, are located in the vicinity of the threefold axes rather than on the axes as in the high-temperature cubic phase. In both structures studied, the O2 and O3 positions are partially occupied. The coexistence of different configurations of the Mo coordination environment facilitates the oxygen-ion migration in the structure. Based on the X-ray data, the activation energies of O atoms are calculated and the migration paths of oxygen ions in the structures are analysed. The conductivity of PM crystals is close to that of LM crystals. The O2 and O3 atoms are the main contributors to the ion conductivity of LM and PM.

Download Full-text

Cubic InGaN Grown by MOCVD

MRS Internet Journal of Nitride Semiconductor Research ◽

10.1557/s1092578300002520 ◽

1999 ◽

Vol 4 (S1) ◽

pp. 239-243

Author(s):

J.B. Li ◽

Hui Yang ◽

L.X. Zheng ◽

D.P. Xu ◽

Y.T. Wang

Keyword(s):

Room Temperature ◽

Emission Peak ◽

Buffer Layers ◽

Cubic Phase ◽

Yellow Luminescence ◽

X Ray Diffraction ◽

High Quality ◽

X Ray ◽

Cubic Gan ◽

Pl Emission

We report on the growth of high-quality cubic phase InGaN on GaAs by MOCVD. The cubic InGaN layers are grown on cubic GaN buffer layers on GaAs (001) substrates. The surface morphology of the films are mirror-like. The cubic nature of the InGaN films is obtained by X-ray diffraction (XRD) measurements. The InGaN layers show strong photoluminescence (PL) at room temperature. Neither emission peak from wurtzite GaN nor yellow luminescence is observed in our films. The highest In content as determined by XRD is about 17% with an PL emission wavelength of 450 nm. The FWHM of the cubic InGaN PL peak are 153 meV and 216 meV for 427 nm and 450 nm emissions, respectively. It is found that the In compositions determined from XRD are not in agreement with those estimated from PL measurements. The reasons for this disagreement are discussed.

Download Full-text

Optimization of Structure of Soft Block for Design of Adaptive Polyurethanes

Key Engineering Materials ◽

10.4028/www.scientific.net/kem.869.273 ◽

2020 ◽

Vol 869 ◽

pp. 273-279

Author(s):

Marina A. Gorbunova ◽

Denis V. Anokhin ◽

Valentina A. Lesnichaya ◽

Alexander A. Grishchuk ◽

Elmira R. Badamshina

Keyword(s):

Mutual Influence ◽

Glycol Adipate ◽

Mass Ratio ◽

X Ray Diffraction ◽

Scanning Calorimetry ◽

X Ray ◽

Crystallization Conditions ◽

Crystalline Domains ◽

Kinetics Of

A synthesis of new di-and triblock polyurethane thermoplastic copolymers containing different mass ratio of two crystallizing blocks - poly (1,4-butylene glycol) adipate and poly-ε-caprolactone diols was developed. Using combination of danamometric analysis, IR-spectroscopy, differential scanning calorimetry and X-ray diffraction, the effect of the soft block composition and crystallization conditions on crystal structure and thermal behavior of the obtained polymers have been studied. For the triblock copolymers we have shown a possibility of control the kinetics of material hardening and final mechanical characteristics due to the mutual influence of polydiols during crystallization. In the result, the second crystallizing component allows to control amount, structure and quality of crystalline domains in polyurethanes by variation of crystallization conditions.

Download Full-text