scholarly journals X-Ray Diffraction of Magnetically Oriented Microcrystals of Protein

2014 ◽  
Vol 70 (a1) ◽  
pp. C349-C349
Author(s):  
Shu Tsukui ◽  
Fumiko Kimura ◽  
Kimihiko Mizutani ◽  
Bunzo Mikami ◽  
Tsunehisa Kimura
Keyword(s):  
Single Crystal ◽  
Three Dimensional ◽  
Water Soluble ◽  
Dimensional Structure ◽  
Diffraction Measurement ◽  
X Ray Diffraction ◽  
Consolidation Process ◽  
X Ray ◽  
Three Dimensional Structure

Elucidation of the three-dimensional structure of biomolecules is of great importance because the three-dimensional structure is closely related to biological functions. X-ray single-crystal analysis is powerful method to analyze the structure, but it is sometimes difficult to grow a crystal sufficiently large for conventional or even synchrotron single-crystal X-ray measurement. We recently reported on a magnetically oriented microcrystal array (MOMA) [1] that is a composite in which microcrystals are aligned three-dimensionally in polymer matrix. Microcrystals are suspended in an ultraviolet-curable monomer and rotated non-uniformly in a static magnetic field to achieve three dimensional crystal alignment. Then, the monomer is photopolymerized to maintain the achieved alignment. We have successfully demonstrated that X-ray single crystal structure determinations through MOMA are possible for low molecular weight compounds [2] as well as protein. [3] However, the method with MOMA has two drawbacks: (i) the sample microcrystals cannot be recovered from a MOMA, which is especially serious problem in case of proteins, and (ii) the alignment is deteriorated during the consolidation process, causing low resolution. In this study, we attempt to solve these problems. First, we use a water-soluble sol as microcrystalline media and consolidate the alignment by gelation, which makes the recovery of microcrystals possible. Second, a magnetically oriented microcrystal suspension (MOMS) is used for in-situ X-ray diffraction measurement, which makes the sample recovery possible and enhances the resolution. We use lysozyme as a model protein for both cases. The in-situ method with in-house X-ray diffractometer gave diffraction spots about 3.0 Å resolutions. We plan to perform the same experiment at SPring-8.

scholarly journals X-Ray Single Crystal Structural Analysis of Magnetically Oriented Microcrystals

2014 ◽  
Vol 70 (a1) ◽  
pp. C1138-C1138
Author(s):  
Chiaki Tsuboi ◽  
Kazuki Aburaya ◽  
Shingo Higuchi ◽  
Fumiko Kimura ◽  
Masataka Maeyama ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Single Crystal ◽  
Three Dimensional ◽  
Diffraction Measurement ◽  
X Ray Diffraction ◽  
Data Set ◽  
Uv Curable ◽  
X Ray

We have developed magnetically oriented microcrystal array (MOMA) technique that enables single crystal X-ray diffraction analyses from microcrystalline powder. In this method, microcrystals suspended in a UV-curable monomer matrix are there-dimensionally aligned by special rotating magnetic field, followed by consolidation of the matrix by photopolymerization. From thus achieved MOMAs, we have been succeeded in crystal structure analysis for some substances [1, 2]. Though MOMA method is an effective technique, it has some problems as follows: in a MOMA, the alignment is deteriorated during the consolidation process. In addition, the sample microcrystals cannot be recovered from a MOMA. To overcome these problems, we performed an in-situ X-ray diffraction measurement using a three-dimensional magnetically oriented microcrystal suspension (3D MOMS) of L-alanine. An experimental setting of the in-situ X-ray measurement of MOMS is schematically shown in the figure. L-alanine microcrystal suspension was poured into a glass capillary and placed on the rotating unit equipped with a pair of neodymium magnets. Rotating X-ray chopper with 10°-slits was placed between the collimator and the suspension. By using this chopper, it was possible to expose the X-ray only when the rotating MOMS makes a specific direction with respect to the impinging X-ray. This has the same effect as the omega oscillation in conventional single crystal measurement. A total of 22 XRD images of 10° increments from 0° to 220° were obtained. The data set was processed by using conventional software to obtain three-dimensional molecular structure of L-alanine. The structure is in good agreement with that reported for the single crystal. R1 and wR2 were 6.53 and 17.4 %, respectively. RMSD value between the determined molecular structure and the reported one was 0.0045 Å. From this result, we conclude that this method can be effective and practical to be used widely for crystal structure analyses.

A monoclinic modification of K3[InCl6]

2006 ◽  
Vol 62 (7) ◽  
pp. i143-i144 ◽  
Author(s):  
Lin Chen ◽  
Bo-Lin Wu ◽  
Xiao-Yi He ◽  
Jin-Xiao Mi
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Data ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Solvent Evaporation Method ◽  
X Ray Diffraction ◽  
Monoclinic Modification ◽  
X Ray ◽  
Three Dimensional Structure

The crystal structure of monoclinic tripotassium indium(III) hexachloride, K3[InCl6], obtained by the solvent evaporation method, has been determined from single-crystal X-ray diffraction data. The crystal structure is characterized by isolated [InCl6] octahedra located in the centre of the cell and at the centre of each of the edges of the cell, linked with K+ cations to form a three-dimensional structure.

scholarly journals Three-dimensional structure of CdX (X=Se,Te) nanocrystals by total x-ray diffraction

2007 ◽  
Vol 102 (4) ◽  
pp. 044304 ◽  
Author(s):  
S. K. Pradhan ◽  
Z. T. Deng ◽  
F. Tang ◽  
C. Wang ◽  
Y. Ren ◽  
...  
Keyword(s):  
Three Dimensional ◽  
Dimensional Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Three Dimensional Structure

Evaluation of Tri-Axial Magnetostriction in Cube-Oriented Fe-Ga Single Crystal by Using X-Ray Diffraction Method

2017 ◽  
Vol 909 ◽  
pp. 300-305 ◽  
Author(s):  
Takehito Ikeuchi ◽  
Akihiro Koyama ◽  
Muneyuki Imafuku ◽  
Shun Fujieda ◽  
Yusuke Onuki ◽  
...  
Keyword(s):  
Magnetic Field ◽  
Single Crystal ◽  
Volume Fraction ◽  
Diffraction Method ◽  
Diffraction Measurement ◽  
Magnetic Field Direction ◽  
Magnetic Domains ◽  
X Ray Diffraction ◽  
X Ray

We carried out in situ tri-axial magnetostriction analysis for cube-oriented Fe-18%Ga single crystal by X-ray diffraction measurement under magnetic field. Periodic change in tri-axial magnetostriction with applied magnetic field direction was clearly observed. However, those values in [100] and [010] directions were not equivalent. Theoretical calculation of magnetostriction considering domain structure revealed this is caused by the non-equivalent volume fraction of initial magnetic domains.

A new two-dimensional ZnII coordination polymer based on 1,3-bis(2-methyl-1H-imidazol-1-yl)benzene and 5-nitrobenzene-1,3-dicarboxylic acid: synthesis, crystal structure and physical properties

2019 ◽  
Vol 75 (2) ◽  
pp. 196-199 ◽  
Author(s):  
Ning-Ning Chen ◽  
Jian-Ning Ni ◽  
Jun Wang ◽  
Jian-Qing Tao
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Dicarboxylic Acid ◽  
Three Dimensional ◽  
Acid Synthesis ◽  
Dimensional Structure ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Π Interactions

A novel two-dimensional (2D) ZnII coordination framework, poly[[μ-1,3-bis(2-methyl-1H-imidazol-1-yl)benzene](μ-5-nitrobenzene-1,3-dicarboxylato)zinc(II)], [Zn(C8H3NO6)(C14H14N4)] n or [Zn(NO2-BDC)(1,3-BMIB)] n [1,3-BMIB is 1,3-bis(2-methyl-1H-imidazol-1-yl)benzene and NO2-H2BDC is 5-nitrobenzene-1,3-dicarboxylic acid], has been prepared and characterized by IR, elemental analysis, thermal analysis and single-crystal X-ray diffraction. Single-crystal X-ray diffraction analysis revealed that the compound is a new 2D polymer with a 63 topology parallel to the (10\overline{2}) crystal planes based on left-handed helices, right-handed helical NO2-BDC–Zn chains and [Zn2(1,3-BMIB)2] n clusters. In the crystal, adjacent layers are further connected by C—H...O hydrogen bonds, C—H...π interactions, C—O...π interactions and N—O...π interactions to form a three-dimensional structure in the solid state. In addition, the compound exhibits strong fluorescence emissions in the solid state at room temperature.

A multiple-common-lines method to determine the orientation of snapshot diffraction patterns from single particles

2014 ◽  
Vol 70 (4) ◽  
pp. 364-372 ◽  
Author(s):  
Liang Zhou ◽  
Tian-Yi Zhang ◽  
Zhong-Chuan Liu ◽  
Peng Liu ◽  
Yu-Hui Dong
Keyword(s):  
Three Dimensional ◽  
Dimensional Structure ◽  
X Ray Diffraction ◽  
Single Particles ◽  
X Ray ◽  
Three Dimensional Structure ◽  
Individual Object ◽  
Common Lines ◽  
Diffraction Imaging ◽  
Diffraction Patterns

With the development of X-ray free-electron lasers (XFELs), it is possible to determine the three-dimensional structures of noncrystalline objects with coherent X-ray diffraction imaging. In this diffract-and-destroy mode, many snapshot diffraction patterns are obtained from the identical objects which are presented one by one in random orientations to the XFEL beam. Determination of the orientation of an individual object is essential for reconstruction of a three-dimensional structure. Here a new method, called the multiple-common-lines method, has been proposed to determine the orientations of high- and low-signal snapshot diffraction patterns. The mean errors of recovered orientations (α, β, γ) of high- and low-signal patterns are about 0.14, 0.06, 0.12 and 0.77, 0.31, 0.60°, respectively; both sets of errors can meet the requirements of the reconstruction of a three-dimensional structure.

scholarly journals Three-dimensional structure of a single colloidal crystal grain studied by coherent x-ray diffraction

2012 ◽  
Vol 20 (4) ◽  
pp. 4039 ◽  
Author(s):  
J. Gulden ◽  
O. M. Yefanov ◽  
A. P. Mancuso ◽  
R. Dronyak ◽  
A. Singer ◽  
...  
Keyword(s):  
Colloidal Crystal ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Three Dimensional Structure
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