scholarly journals Structures of ruthenium-modified Pseudomonas aeruginosa azurin and [Ru(2,2′-bipyridine)2(imidazole)2]SO4·10H2O

1999 ◽  
Vol 55 (2) ◽  
pp. 379-385 ◽  
Author(s):  
Salem Faham ◽  
Michael W. Day ◽  
William B. Connick ◽  
Brian R. Crane ◽  
Angel J. Di Bilio ◽  
...  
Keyword(s):  
Monoclinic Space Group ◽  
Native Protein ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
X Ray Crystallography ◽  
Peg 4000 ◽  
Dark Green ◽  
Atomic Coordinates

The crystal structure of Ru(2,2′-bipyridine)2(imidazole)(His83)azurin (RuAz) has been determined to 2.3 Å resolution by X-ray crystallography. The spectroscopic and thermodynamic properties of both the native protein and [Ru(2,2′-bipyridine)2(imidazole)2]2+ are maintained in the modified protein. Dark-green RuAz crystals grown from PEG 4000, LiNO3, CuCl2 and Tris buffer are monoclinic, belong to the space group C2 and have cell parameters a = 100.6, b = 35.4, c = 74.7 Å and β =  106.5°. In addition, [Ru(2,2′-bipyridine)2(imidazole)2]SO4·10H2O was synthesized, crystallized and structurally characterized by X-ray crystallography. Red–brown crystals of this complex are monoclinic, space group P21/n, unit-cell parameters a = 13.230 (2), b = 18.197 (4), c = 16.126 (4) Å, β = 108.65 (2)°. Stereochemical parameters for the refinement of Ru(2,2′-bipyridine)2(imidazole)(His83) were taken from the atomic coordinates of [Ru(2,2′-bipyridine)2(imidazole)2]2+. The structure of RuAz confirms that His83 is the only site of chemical modification and that the native azurin structure is not perturbed significantly by the ruthenium label.

The X-Ray Crystallography of Rosasite From Tsumeb, Namibia

1986 ◽  
Vol 1 (1) ◽  
pp. 56-57 ◽  
Author(s):  
Andrew C. Roberts ◽  
John L. Jambor ◽  
Joel D. Grice
Keyword(s):  
Electron Microprobe ◽  
Analytical Formula ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
X Ray Crystallography ◽  
Bluish Green

AbstractCrystals of green to bluish green rosasite from Tsumeb, Namibia are monoclinic, space group P21/a, with refined unit-cell parameters a = 12.873 (3), b = 9.354 (3), c = 3.156 (2) A, β = 110.36 (3)°, V = 356.3 (5) A3 and a:b:c = 1.3762:1:0.3374, with Z = 4 and Dx = 4.15 g./cm.3. Crystals are twinned by 180° rotation about a*. A fully indexed powder pattern is presented. Electron-microprobe analyses, average (wt. %): Cu 32.9, Zn 23.7; this suggests an analytical formula of (Cu1·18 Zn0·82) (CO3) (OH)2. The rosasite is optically biaxial negative, α = 1.673 (1), β = 1.796 (3), γ = 1.811 (3), 2Vx = 33 (5)° (calc. 36.4°), with X = c, Y = a* and Z = b.

scholarly journals Crystallization and preliminary X-ray diffraction studies of guanidinoacetate methyltransferase from rat liver

1999 ◽  
Vol 55 (11) ◽  
pp. 1928-1929 ◽  
Author(s):  
Junichi Komoto ◽  
Yafei Huang ◽  
Yongbo Hu ◽  
Yoshimi Takata ◽  
Kiyoshi Konishi ◽  
...  
Keyword(s):  
Rat Liver ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Guanidinoacetate methyltransferase is the enzyme which catalyzes the last step of creatine biosynthesis. The enzyme is found ubiquitously and in abundance in the livers of all vertebrates. Recombinant rat-liver guanidinoacetate methyltransferase has been crystallized with guanidinoacetate and S-adenosylhomocysteine. The crystals belong to the monoclinic space group P21, with unit-cell parameters a = 54.8, b = 162.5, c = 56.1 Å, β = 96.8 (1)° at 93 K, and typically diffract beyond 2.8 Å.

Preparation and crystal structure of SbV1.50InIII0.50(PO4)3 and (SbV0.50InIII0.50)P2O7

2008 ◽  
Vol 23 (3) ◽  
pp. 232-240
Author(s):  
Abderrahim Aatiq ◽  
Rachid Bakri ◽  
Aaron Richard Sakulich
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Room Temperature ◽  
Rietveld Method ◽  
Monoclinic Space Group ◽  
Unit Cell Parameters ◽  
Orthorhombic System ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Synthesis and structure of two phosphates belonging to the ternary Sb2O5–In2O3–P2O5 system are realized. Structures of SbV1.50InIII0.50(PO4)3 and (SbV0.50InIII0.50)P2O7 phases, obtained by solid state reaction in air at 950 °C, were determined at room temperature from X-ray powder diffraction using the Rietveld method. SbV1.50InIII0.50(PO4)3 have a monoclinic (space group P21/n) distortion of the Sc2(W O4)3-type framework. Its structure is constituted by corner-shared SbO6 or InO6 octahedra and PO4 tetrahedra. Monoclinic unit cell parameters are a=11.801(2) Å, b=8.623(1) Å, c=8.372(1) Å, and β=90.93(1)°. (Sb0.50In0.50)P2O7 is isotypic with (Sb0.50Fe0.50)P2O7 and crystallizes in orthorhombic system (space group Pna21) with a=7.9389(1) Å, b=16.0664(2) Å, and c=7.9777(1) Å. Its structure is built up from corner-shared SbO6 or InO6 octahedra and P2O7 groups (two group-types). Each P2O7 group shares its six vertices with three SbO6 and three InO6 octahedra, and each octahedron is connected to six P2O7 groups.

scholarly journals Pseudomalachit z lokality Zadné Breziny pri Gemerskej Polome (Slovenská republika)

2020 ◽  
Vol 28 (2) ◽  
pp. 290-294
Author(s):  
Martin Števko ◽  
Jiří Sejkora ◽  
Zdeněk Dolníček
Keyword(s):  
Wall Rock ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Unit Cell Parameters ◽  
Native Copper ◽  
Space Group ◽  
Cell Parameters ◽  
Dark Green

A new occurrence of pseudomalachite was recently discovered at the Zadné Breziny copper occurrence near Gemerská Poloma, Rožňava Co., Košice Region, Slovakia. It forms dark green rich coatings and crusts, which consist of individual hemispherical aggregates up to 7 mm in size. Pseudostalactites up to 6 mm in size were also rarely observed. Pseudomalachite occurs in fractures and cavities of the quartz gangue or in fractures of the wall rock. It is associated with malachite, cuprite and native copper. The refined unit-cell parameters (for the monoclinic space group P21/c) are a 4.4805(5) Å, b 5.7504(6) Å, c 17.045(2) Å, β 91.12(1)° and V 439.06(6) Å3. Except of dominant contents of Cu and P only minor amounts of Al (up to 0.04 apfu), Fe (up to 0.02 apfu), As (up to 0.07 apfu) and S (up to 0.01 apfu) were detected in studied samples of pseudomalachite from the Zadné Breziny occurrence.

Olivenite and cornwallite from the Podlipa copper deposit near Ľubietová, Slovakia

2021 ◽  
Vol 29 (2) ◽  
pp. 189-196
Author(s):  
Martin Števko ◽  
Jiří Sejkora ◽  
Zdeněk Dolníček
Keyword(s):  
Copper Deposit ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Unit Cell Parameters ◽  
Space Group ◽  
Chemical Zoning ◽  
Cell Parameters ◽  
P Content ◽  
Dark Green ◽  
Pale Green

An interesting occurrence of olivenite and cornwallite was recently discovered in cavities of quartz at the Podlipa copper deposit near Ľubietová, Slovakia. Olivenite occurs as olive to pale green sprays or radial aggregates consisting of individual acicular crystals up to 5 mm long. Its refined unit-cell parameters (for the monoclinic space group P21/n) are: a 8.6192(13) Å, b 8.2300(11) Å, c 5.9349(8) Å, α 90.055(12)° and V 420.99(7) Å3. Studied olivenite shows intense chemical zoning caused by strong variation of As and P contents. Most of the zones are corresponding to olivenite (with P content ranging between 0.02 to 0.39 apfu), but darker zones or domains of As-rich libethenite (with As content ranging between 0.18 to 0.24 apfu) were occasionally observed. Cornwallite forms dark green massive fillings between olivenite crystals or microcrystalline botryoidal crusts. The refined unit-cell parameters (for the monoclinic space group P21/c) of botryoidal cornwallite from the Podlipa deposit are: a 4.6112(2) Å, b 5.7698(3) Å, c 17.4167(11) Å, β 92.009(5)° and V 463.10(3) Å3. The two compositional types of cornwallite were distinguished. The first type is represented by relatively homogenous aggregates with only minor contents of P (from 0.04 to 0.22 apfu). The second type occurs as polycrystalline fillings with strong chemical zoning and has much more significant variation of As and P contents, representing solid-solution series between P-rich cornwallite (with 1.41 apfu of As and 0.59 apfu of P) and As-rich pseudomalachite (with 1.37 apfu of P and 0.63 apfu of As).

Molecular and crystal structure of a copper(II) complex of sildenafil

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Akhmatkhodja N. Yunuskhodjayev ◽  
Shokhista F. Iskandarova ◽  
Vahobjon Kh. Sabirov
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Piperazine Ring ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Abstract The crystal structure of a copper(II) complex of protonated sildenafil, CuCl3C22H31N6O4S⋅2H2O was studied by single crystal X-ray diffraction. The compound crystallizes in the monoclinic space group P21/n with the unit cell parameters a = 15.4292(2), b = 9.06735(12), c = 21.1752(2) Å, V = 2945.48(7) Å3, Z = 4. The Cu atom is coordinated by the sildenafil ligand via the N2 atom of the pyrazolopyrimidine ring and by three chloride anions. Sildenafil is protonated at the methylated N6 atom of the piperazine ring and it is cation ligand with a 1+ charge.

scholarly journals Crystallization and preliminary X-ray diffraction analysis of the BRPF1 bromodomain in complex with its H2AK5ac and H4K12ac histone-peptide ligands

2014 ◽  
Vol 70 (10) ◽  
pp. 1389-1393 ◽  
Author(s):  
Mulu Y. Lubula ◽  
Amanda Poplawaski ◽  
Karen C. Glass
Keyword(s):  
Diffraction Analysis ◽  
National Laboratory ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Direct Role ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

The bromodomain-PHD finger protein 1 (BRPF1) is an essential subunit of the monocytic leukemia zinc (MOZ) histone acetyltransferase (HAT) complex and is required for complex formation and enzymatic activation. BRPF1 contains a structurally conserved bromodomain, which recognizes specific acetyllysine residues on histone proteins. The MOZ HAT plays a direct role in hematopoiesis, and deregulation of its activity is linked to the development of acute myeloid leukemia. However, the molecular mechanism of histone-ligand recognition by the BRPF1 bromodomain is currently unknown. The 117-amino-acid BRPF1 bromodomain was overexpressed inEscherichia coliand purified to homogeneity. Crystallization experiments of the BRPF1 bromodomain in complex with its H4K12ac and H2AK5ac histone ligands yielded crystals that were suitable for high-resolution X-ray diffraction analysis. The BRPF1 bromodomain–H4K12ac crystals belonged to the tetragonal space groupP43212, with unit-cell parametersa= 75.1,b= 75.1,c= 86.3 Å, and diffracted to a resolution of 1.94 Å. The BRPF1 bromodomain–H2AK5ac crystals grew in the monoclinic space groupP21, with unit-cell parametersa= 60.9,b= 55.6,c= 82.1 Å, β = 93.6°, and diffracted to a resolution of 1.80 Å. Complete data sets were collected from both crystal forms using synchrotron radiation on beamline X29 at Brookhaven National Laboratory (BNL).

X-ray powder diffraction data for five lanthanoid chromates [Ln2(CrO4)3(H2O)5]·2H2O (Ln=La,Pr,Nd,Sm,Eu)

1994 ◽  
Vol 9 (2) ◽  
pp. 98-104
Author(s):  
Jaakko Leppä-aho ◽  
Jussi Valkonen
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Diffraction Patterns

X-ray powder diffraction data are reported for a series of isomorphous compounds of [Ln2(CrO4)3(H2O)5]·2H2O, where Ln=La, Pr, Nd, Sm, or Eu. The compounds crystallize in monoclinic space group P21/c (No: 14) with Z=4. Refined unit cell parameters and indexed powder diffraction patterns are given.

Synthesis and Spectroscopic Characterization of Mixed Diamidophosphoric Acid Esters: X-Ray Crystal Structure of [(CH3)2N]-[p-H3C-C6H4-O]P(O)X (X = NHC(CH3)3 and p-H3C-C6H4-NH)

2009 ◽  
Vol 64 (5) ◽  
pp. 565-569 ◽  
Author(s):  
Saied Ghadimi ◽  
Mehrdad Pourayoubi ◽  
Ali Asghar Ebrahimi Valmoozi
Keyword(s):  
Spectroscopic Characterization ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Unit Cell Parameters ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
R Value ◽  
Acid Esters

Mixed diamidophosphoric acid esters [(CH3)2N][p-H3C-C6H4-O]P(O)X, where X = NH(CH3) (1), NHCH(CH3)2 (2), NHC(CH3)3 (3) and p-H3C-C6H4-NH (4) were synthesized and characterized by 31P, 31P{1H}, 13C, 1H NMR, and IR spectroscopy and mass spectrometry, and single crystal X-ray diffraction analysis for the compounds 3 and 4. Compound 3 crystallizes in the monoclinic, space group P21/c with unit cell parameters a = 9.006(3), b = 16.286(5), c = 10.319(3) A° , β = 99.633(6)◦, V = 1492.2(8) °A3, Z = 4. The final R value is 0.0622 for 2074 reflections [I ≥ 2σ (I)]. Compound 4 crystallizes in the orthorhombic, space group Pna21 with unit cell parameters a = 7.0459(14), b = 20.934(4), c = 10.436(2) ° A, V = 1539.3(5) °A3, Z = 4. The final R value is 0.0530 for 3025 reflections [I ≥ 2σ (I)].

Armstrongite from the Strange Lake Alkalic Complex, on the Quebec – Labrador Boundary, Canada

1987 ◽  
Vol 2 (1) ◽  
pp. 2-4 ◽  
Author(s):  
John L. Jambor ◽  
Andrew C. Roberts ◽  
Joel D. Grice
Keyword(s):  
Electron Microprobe ◽  
Unit Cell ◽  
Powder Pattern ◽  
Theoretical Formula ◽  
Monoclinic Space Group ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
No Absorption

AbstractTabular untwinned crystals of colorless transparent armstrongite from the Strange Lake Alkalic Complex, on the Quebec – Labrador boundary, Canada are monoclinic, space group choices I2/m, I2, Im (diffraction aspect I*/*), with refined unit-cell parameters a = 13.599 (9), b = 14.114(9), c = 7.833 (4) Å, β = 103.41 (5)°, V = 1462.4 (±3.0) Å3. a:b:c = 0.9635:1:0.5550, Z = 4 and D(x) = 2.696 g/cm3. A fully indexed X-ray powder pattern is presented. Averaged electron-microprobe analyses suggest a theoretical formula of CaZrSi6O15 · 3 H2O. The Strange Lake armstrongite is biaxial negative, α = 1.567 (1), β = 1.576 (1), γ = 1.577 (1), 2V (meas.) = 39 (1)°, 2V (calc.) = 37°, Z∥b, X Λc = +4°, with no absorption and weak dispersion r < v.

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