• 제목/요약/키워드: crystallographic group

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The Seventeen Plane Groups (Two-dimensional Space Groups)

  • 김진규;김윤중;김영상;고재중;강상욱;한원식;서일환
    • 한국결정학회지
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    • 제16권1호
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    • pp.11-20
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    • 2005
  • Two-dimensional lattice에 존재하는 6가지 기본대칭과 5개의 Bravais lattice를 유도하였고 10개의 two-dimensional point groups를 5개의 각 Bravais lattice에 따라 분류하였다. 마지막으로 10개 point groups에 속한 17 two-dimensional space groups를 고찰하였다.

강탄성 구역구조 및 구역벽에 관한 연구 (A Study on the Ferroelastic Domain Structure and Domain Walls)

  • 정희태;정세영
    • 한국결정학회지
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    • 제11권1호
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    • pp.34-41
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    • 2000
  • The group-theoretical approach analyzing the domain structure and the domain wall orientations of the ferroelastic crystal was introduced. These theoretical results were investigated by comparing them with the experimental results of several ferroelastic crystals, CsPbCl₃, Pb₃(PO₄)₂, and LiCsSO₄, which were grown by the Czochralski and solution methods, respectively. both results were agreed well and also consistent with those of previous works such s the strain method and the geometrical consideration. The group-theoretical approach showed that the ferroelastic domain walls must be the crystallographical prominent planes with fixed indices and classified by the symmetry elements characterizing the permissible domain walls. So the group-theoretical approach could be suggested as a new method for analyzing the structure of the ferroelastic domain and domain walls.

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Structure of Mixed-Anions Tris(2-pyridylmethyl)amine Mn Complex, TPAMnη2-NO3)(η-CIO4)

  • Shin, Bok-Kyu;Kim, Mi-Hyang;Han, Jae-Hong
    • Bulletin of the Korean Chemical Society
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    • 제28권3호
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    • pp.417-420
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    • 2007
  • Mononuclear mixed-anions Mn complex of TPAMn(η2-NO3)(η-ClO4), where TPA is tris(2-pyridylmethyl)-amine, has been synthesized and characterized. The neutral TPAMn(η2-NO3)(η-ClO4) was obtained from the reaction between Mn(NO3)2·4H2O and [H3TPA](ClO4)3 in MeOH. X-ray crystallographic structure of mononuclear TPAMn(η2-NO3)(η-ClO4) complex showed a seven-coordinated geometry with a tripodal tetradentate TPA, a terminal perchlorate and an η2-bound nitrate.

Crystallization and Preliminary X-ray Crystallographic Analysis of Peptide Deformylase from Staphylococcus aureus

  • Kim, Hyeon-Woo;Yoon, Hye-Jin;Kim, Hyung-Wook;Mikami, Bunzo;Suh, Se-Won
    • 한국결정학회지
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    • 제15권1호
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    • pp.40-43
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    • 2004
  • The peptide deformylase from the pathogenic bacterium Staphylococcus aureus has been over-expressed in Escherichia coli and crystallized in the presence of the inhibitor actinonin at 297 K using polyethylene glycol 20000 as a precipitant. X-ray diffraction data have been collected to 2.2 ${\AA}$ resolution. The crystal is trigonal, belonging to the space group $P3_121$ (or its enantiomorph $P3_221$), with unit cell parameters of a = b = 62.70 ${\AA}$ c = 108.23 ${\AA}$, ${\alpha}\;=\;{\beta}\;=\;90^{\circ},\;and\;{\gamma}\;=\;120^{\circ}$. An asymmetric unit contains a monomer of the recombinant enzyme, giving a $V_M$ of 2.84 ${\AA}^3\;Da^_{-1}$ and a solvent content of 56.7%.

trans-Dichlorobis(diisopropylaniline) palladium(II), trans-$[Pd(NH_2-C_6H_3-2, 6-i-Pr_2)_2Cl_2]$의 합성 및 구조 (Synthesis and Structure of trans-Dichlorobis(diisopropylaniline) palladium(II), trans-$[Pd(NH_2-C_6H_3-2, 6-i-Pr_2)_2Cl_2]$)

  • Hye Jin Kim;Won Seok Han;Soon Won Lee
    • 한국결정학회지
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    • 제12권3호
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    • pp.137-140
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    • 2001
  • 화합물 PdCl₂(PhC≡N)₂(1) 와 2.6-diisopropylaniline 이 반응하여 trans-[Pd(NH₂-C/sub 6/-H₃-2, 6-i-Pr₂)₂Cl₂] (2)가 합성하였다. 화합물 2의 구조가 분광학적 방법(¹H-NMR, /sup 13/C-NMR, IR) 및 X-ray 회절법으로 규명되었다. 화합물 2의 결정학 자료: 단사정계 공간군 P2₁/n, a=13.532(3)Å, b=5.749(1)Å, c=17.880(4)Å, β=103.84(2)°, Z=2, R(wR₂)=0.0466(0.1226).

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3차원 Zinc-Phosphate 배위 고분자: $Zn_3(PO_4)_2(H_2O)$의 수열합성 및 구조 (A Three-Dimensional Zinc-Phosphate Coordination Polymer: Hydrothermal Synthesis and Structure of $Zn_3(PO_4)_2(H_2O)$)

  • Dongwon Min;Ji-Young Back;Hyun Sue Hoe;Soon Won Lee
    • 한국결정학회지
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    • 제12권3호
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    • pp.145-149
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    • 2001
  • Pyrazine 존재 하에서, Zn(NO₃)₂·존재 하에서 . Zn(NO,)7·6H₂O와 K₂HPO₄가 수열반응하여 Zn₃(PO₄)₂(H₂O) (1)실험식을 갖는 3차원 zinc-phosphate 배위 고분자가 합성되었다. 화합물 1의 구조가 IR 분광법 및 X-ray 회절법으로 규명되었다. 화합물 1의 결정학적 자자료: 단사정계 공간군 P2₁/c, a=8.750(1)Å, b=4.901(1)Å, c=16.759(3)Å, β=94.98(2)°, Z=4, R(wR₂)=0.0332(0.0927).

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CRYSTAL STRUCTURE OF tRNA ($m^1$ G37) METHYLTRANSFERASE

  • Ahn, Hyung-Jun;Lee, Byung-Ill;Yoon, Hye-Jin;Yang, Jin-Kuk;Suh, Se-Won
    • 한국결정학회:학술대회논문집
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    • 한국결정학회 2003년도 춘계학술연구발표회
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    • pp.17-17
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    • 2003
  • tRNA (m¹ G37) methyltransferase (TrmD) catalyze s the trans for of a methyl group from S-adenosyl-L-methionine (AdoMet) to G/sup 37/ within a subset of bacterial tRNA species, which have a residue G at 36th position. The modified guanosine is adjacent to and 3' of the anticodon and is essential for the maintenance of the correct reading frame during translation. We have determined the first crystal structure of TrmD from Haemophilus influenzae, as a binary complex with either AdoMet or S-adenosyl-L-homocysteine (AdoHcy), as a ternary complex with AdoHcy/phosphate, and as an apo form. The structure indicates that TrmD functions as a dimer (Figure 1). It also suggests the binding mode of G/sup 36/G/sup 37/ in the active site of TrmD and catalytic mechanism. The N-terminal domain has a trefoil knot, in which AdoMet or AdoHcy is bound in a novel, bent conformation. The C-terminal domain shows a structural similarity to DNA binding domain of trp or tot repressor. We propose a plausible model for the TrmD₂-tRNA₂ complex, which provides insights into recognition of the general tRNA structure by TrmD (Figure 2).

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Crystallographic Effects of Larger Indium Ion Substitution in NiFe2-xInxO4 (x = 0, 0.2, 0.5, and 1.0) System

  • Yoon, Sung-Hyun;Yoon, Chang-Sun;Kim, Byung-Ho
    • Journal of Magnetics
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    • 제10권1호
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    • pp.23-27
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    • 2005
  • The crystallographic and magnetic properties of a series of substitutions in nickel ferrite where the Fe3+ is replaced with In3+ have been investigated using X-ray diffraction (XRD) and Mössbauer spectroscopy. Information on the exact crystalline structure, lattice parameters, bond lengths and bond angles were obtained by refining their XRD profiles by a Rietveld method. All the crystal structures were found to be cubic with the space group Fd/3m. The lattice constants increased with In3+ concentration. The expansion of the tetrahedron was outstanding, indicative of the tetrahedral (A) site preference of larger indium ion. The Mossbauer spectra showed two sets of sextuplet originating from ferric ions occupying the tetrahedral sites and the octahedral (B) sites under the Neel temperature TN. Regardless of the composition x, the electric quadrupole splitting was zero within the experimental error. At x = 0.2, the magnetic hyperfine fields increased slightly, which meant that the nonmagnetic indium ions occupied preferentially the A-site. At the same time, the intensity of the B-site sub-spectra decreased markedly at the elevated temperature, indicating that the occupation of the A site by indium induced a considerable perturbation on the B site.

(${\eta}^5-Cp^*$)(Ir-B3)(1,2-S,S($CH_2SiMe_3$)-o-carborane) ($C_{16}H_{35}B_{10}IrS_2Si$)의 합성 및 결정구조 (The Synthesis and Crystal Structure of (${\eta}^5-Cp^*$)(Ir-B3)(1,2-S,S($CH_2SiMe_3$)-o-carborane)($C_{16}H_{35}B_{10}IrS_2Si$))

  • 조성일
    • 한국결정학회지
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    • 제18권1_2호
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    • pp.1-6
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    • 2007
  • 유기금속 화합물 $C_{16}H_{35}B_{10}IrS_2Si$를 o-carborane으로 출발하여 $Cp^*Ir(S_2C_2B{10}H_{10})$을 합성하고, $Me_3SiCHN_2$를 가하여 합성하였다. X-선 회절법을 이용하여 $C_{16}H_{35}B_{10}IrS_2Si$ 화합물의 분자구조를 규명하였다. 이 화합물의 결정학적 자료는 monoclinic, space group $P2_1/n$, $a=10.1986(12)\;{\AA}$, $b=14.834(5)\;{\AA}$, $c=17.139\;{\AA}$, ${\beta}=92.24(2)^{\circ}$, Z=4, $V=2591.0(14)\;{\AA}^3$이다. 결정 구조는 직접법으로 해석하였으며, 완전행렬최소자승법을 정밀화 하였으며 5080개의 회절 반점에 대하여 최종 신뢰도 인자 R=0.053인 분자모형을 구하였다.

Crystallization and X-Ray Crystallographic Studies of Wild-Type and Mutant Tryptophan Synthase α-Subunits from Escherichia coli

  • Jeong, Mi Suk;Jang, Se Bok
    • Molecules and Cells
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    • 제19권2호
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    • pp.219-222
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    • 2005
  • The a-subunit of Escherichia coli tryptophan synthase (${\alpha}TS$), a component of the tryptophan synthase ${\alpha}_2{\beta}_2$ complex, is a monomeric 268-residues protein (Mr = 28,600). ${\alpha}TS$ by itself catalyzes the cleavage of indole-3-glycerol phosphate to glyceraldehyde-3-phosphate and indole, which is converted to tryptophan in tryptophan biosynthesis. Wild-type and P28L/Y173F double mutant ${\alpha}$-subunits were overexpressed in E. coli and crystallized at 298 K by the hanging-drop vapor-diffusion method. X-ray diffraction data were collected to $2.5{\AA}$ resolution from the wild-type crystals and to $1.8{\AA}$ from the crystals of the double mutant, since the latter produced better quality diffraction data. The wild-type crystals belonged to the monoclinic space group C2 ($a=155.64{\AA}$, $b=44.54{\AA}$, $c=71.53{\AA}$ and ${\beta}=96.39^{\circ}$) and the P28L/Y173F crystals to the monoclinic space group $P2_1$ ($a=71.09{\AA}$, b=52.70, $c=71.52{\AA}$ and ${\beta}=91.49^{\circ}$). The asymmetric unit of both structures contained two molecules of ${\alpha}TS$. Crystal volume per protein mass ($V_m$) and solvent content were $2.15{\AA}^3\;Da^{-1}$ and 42.95% for the wild-type and $2.34{\AA}^3\;Da^{-1}$ and 47.52% for the double mutant.