• Korean Journal of Crystallography
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• v.5 no.1
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• pp.20-23
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• 1994

Specific binding to the oric region of E, coli chromsome by IciA protein inhibits initiation of chrorrnsomal replication in vitro by blocking the opening of this region effected by the initiator DnaA protein. The IciA protein has been suggested play a critical role in a key stage of the cell cycle. In order to study the structure-function relationship of IciA protein, we are determining the three-dimensional structure of IciA Votein by X-ray crystallography, As a first step toward its structure detumination E. coli IciA protein has been crystallized using sodium formate as a precipitant.

• Korean Journal of Crystallography
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• v.12 no.4
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• pp.207-211
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• 2001

The crystal structure of the title complex, Cd(SCN)₂{CH/sub 6/H/sub 10/(NH₂)₂}₂(1) has been analyzed by X-ray single crystallography. The complex 1 crystallizes in the monoclinic system P2₁/ space group with a=11.842(2), b=7.926(2), c=11.291(2) Å, β=106.73(3)°V=1014.8(4)Ų, Z=2, R₁=0.0518 and ωR₂=0.1315 for 1775 independent reflections. The central Cd(II) atom of this com-plex has a slightly distorted octahedral coordination geometry, with the 1,2-Diaminocyclohexane ligands functioning as an N,N'-bidentate and the thiocyanate ligands bonding through the sulfur atom in a trans arrangement.

• Journal of Photoscience
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• v.9 no.2
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• pp.126-129
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• 2002

The chromophore/protein interactions in the photocycle intermediates of photoactive yel- low protein (PYP) were probed by site-directed mutagenesis. The absorption spectra of L- intermediates produced from E46Q, T50V, and R52Q mutants were calculated using the absorption spectra of dark states and difference absorption spectra between L-intermediates and dark states, and compared with that of PYP$\_$L/. The absorption spectrum of R52Q$\_$L/ agreed with that of PYP$\_$L/, but those of E46Q$\_$L/ and T50V$\_$L/ were red-shifted. The effect of these mutations on the absorption spectrum for L-intermediate was comparable to that for the dark state, suggesting that the interaction around the phe-nolic oxygen of the chromophore is conserved in PYP$\_$L/ unlike the crystal structure. On the other hand, we have reported that the absorption spectra of Y 42F$\_$M/, T50V $\_$M/, and R52Q$\_$M/ agreed with that of PYP$\_$M/, but that of E46Q$\_$M/ was red-shifted, suggesting that the hydrogen bond of the chromophore with Glu46 is conserved but that with Tyr42 is broken in PYP$\_$M/. These results suggest that the chromophore inter-acts with Glu46 throughout the photocycle, but never directly interacts with Arg52. This model con- flicts with some of the structural model of PYP intermediates proposed based on the high-resolution X -ray crystallography.

• Analytical Science and Technology
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• v.11 no.1
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• pp.8-12
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• 1998

The 2,2'-Biimidazole was synthesized by the reaction between glycol and ammonium solution. The correct solid structure of 2,2'-biimidazole in this method reported either trans ($C_{2h}$) or cis ($C_{2v}$) form. In this study, the correct structure of 2,2'-biimidazole was analysed by both FTIR and Raman spectroscopy using mutual exclusion properties of them. Also, it was analysed by $^1H$ and $^{13}C$ NMR and computer molecular modeling. The structure of 2,2'-biimidazole found to be trans ($C_{2h}$) than cis ($C_{2v}$) by comparison between FTIR and Raman Spectra. This results agree with computer molecular modeling and x-ray crystallography. This study provide good evidence for identifying structural orientation of the 2,2'-biimidazole containing pyridyl nitrogen.

• Archives of Pharmacal Research
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• v.14 no.2
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• pp.137-142
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• 1991

The structure of a $\beta$-allyl type phenylpropanoid was determined by single crystal X-ray diffraction analysis. The compound was recrystallized from a mixture of n-hexane and benzene in monoclinic crystal system with a = 24.782 (2), b = 10.537 (1), c = 7.871 (1) ${\AA}, \beta=95.74$ (1)$^\circ, $D_x$=1.216, $D_m$=1.22g/$cm^3$, space group $P2_1/a$, and Z=4. The structure was solved by direct method and refined by least-squares procedure to the final R value of 0.054 for 2824 observed reflections {$F{\geq}3\sigma(F)$}. The molecular geometry shows a most stable trans-form with respect to the bulky phenyls, and this conformation is settled by an intramolecular hydrogen bond. In the crystal, the molecules are arranged along with the screw axis, and stabilized by the $O{\cdot}H{\cdots}O$ type intermolecular hydrogen bonds. The other intermolecular contacts appear to be the normal van der Waals' interactions. The compound is a dimeric phenylpropanoid, and belongs to the neolignan analogues.

• Archives of Pharmacal Research
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• v.15 no.1
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• pp.52-57
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• 1992

The molecular structure of a natural compound was determined by single crystal X-ray diffraction analysis. The compound was isolated by methanol extraction and repeated chromatography from the stem of Paulownia tomentosa. Yellow prismatic crystals of the compound, which were recrystallized from tetrahydrofuran, are triclinic, with a = 7.310 (6), b = 10.753(6), c = 11.586(5) ${\AA}.\;\alpha= 93.30(6),\;\beta=105.62(10),\;\gamma=109.49(7)^\circ,\;D_x=1.514,\;D_m=1.51 g/cm^3$, space group P1 and Z = 2. The structure was solved by direct method, and refined by least-squares procedure to the final R-value of 0.032 for 1271 independent reflections $(F\le3\sigma{(F))}$. The compound is one of new furanquinone analogue. The molecule has a nearly planar conformation with an intramolecular hydrogen bond. In the crystal, the planar molecules are arranged as a prallel sheet-like pattern, and these stackings are stabilized by the O-H...O type intermolecular hydrogen bonds. The other intermolecular contacts appear to be the normal van der Waals interactions.

• Korean Journal of Crystallography
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• v.6 no.2
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• pp.88-92
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• 1995

Higly pure silicon crystals with an almost perfect lattice structure constityte a powerful metrological tool. The streographic standard prohection for the (111) orientation of diamond structure found by the Laue method shows angles between net planes of 60°. This value is known to be certain to some 10-8 rad. We have made a six-faced silicon polygon, and the (220) lattice planes of the polygon act as a reference angular standard. The information of angles between lattice planes could be taken by the X-ray diffraction. The angle of the rotary encoder have been calibrated using the silicon angle standard. The X-ray optics was double crystal arrangement.

• Korean Journal of Crystallography
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• v.16 no.2
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• pp.75-80
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• 2005

[ $LiK_{1-x}Rb_{x}SO_{4}(x=0.1,\;0.2)$ ] crystals were grown by means of aqueous solution growth technique at 313 K. Structure analysis of them was carried out with space group $P6_{3}(#173)$ by X-ray diffraction. In these compounds, the Li and $SO_{4}^{2-}$ ions lying on the three-fold axes formed infinite three-dimensional network and K and Rb atoms located on the six-fold axes are coordinated by twelve and fifteen O atoms respectively. The most suitable stabilization was achieved when the occupancy factors of K and Rb atoms are (0.91 : 0.09), (0.77 : 0.23) respectively.

• Korean Journal of Crystallography
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• v.8 no.2
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• pp.105-110
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• 1997

1μm-CdS films for a window layer of CdS/CuInSe2 solar cell have been prepared by vacuum of 1x10-3 mTorr. Source and substrate temperature ranges were used 800-1100'C and 50-200℃ respectively. Structural, electircal and optical properties of CdS films have been investigated by X-ray diffractometer (XRD), scanning electron microscopy (SSEM), electrical resistivity, the Hall measurement and optical transmission spectra. Electrical resistivity and optical transmission of the CdS films decreased with the increase in CdS source temperature without substrate heating. All the films had hexagonal structure and strong texture with (002) orientation of grain normal to the substrate glass. CdS films evaporated at 1000℃ were the highest electrical conductivity of 0.9(S/cm). Electrical resistivity and optical transmission at the substrate temperature of 100℃ were 40(Ω,cm) and 80% respectively.

• Analytical Science and Technology
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• v.11 no.1
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• pp.42-46
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• 1998

The reaction of $({\eta}^5-C_5Me_5)_2K$ with $BiCl_3$ yielded $({\eta}^5-C_5Me_5)_2BiCl$[I], the first organobismuth compound with ${\pi}$-bonded cyclopentadienyl ring. The compound I which was the violet crystal (yield, 30%) was decomposed to $PCpBiCl_2$. The Structure of $({\eta}^5-C_5Me_5)_2BiCl$ was identified as single crystal by X-ray diffraction method. The eliminated product $C_{20}H_{30}$, triclinic crystal of space group p1(Z=2) which was attached with C-C ${\sigma}$-bond of two cyclopentadienyl was defined by the structural analysis.