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  • 1
    Electronic Resource
    Electronic Resource
    Structure of Dimeric and Monomeric Erabutoxin a Refined at 1.5 Å Resolution (1998)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 54 (1998), S. 964-974 
    Details
    ISSN: 1399-0047
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Erabutoxin a has been crystallized in its monomeric and dimeric forms. The structures were refined at 1.50 and 1.49 Å resolution, respectively, using synchrotron radiation data. The crystals belong to space group P212121, with cell dimensions a = 49.84, b = 46.62, c = 21.22 Å for the monomer and a = 55.32, b = 53.54, c = 40.76 Å for the dimer. Using starting models from earlier structure determinations, the monomeric structure refined to an R value of 16.7% (8004 unique reflections, 17.0–1.50 Å resolution range), while the dimeric structure has been solved by the molecular-replacement method with a final R value of 16.9% (19444 unique reflections, 17.4–1.49 Å resolution range). The high-resolution electron-density maps clearly revealed significant discrete disorder in the proteins and allowed an accurate determination of the solvent structure. For the monomer, the side chains of six residues were modelled with alternate conformers and 106 sites for water molecules and one site for a sulfate ion were included in the final model, whereas for the dimer, 206 sites for water molecules were included and both C-terminal residues together with the side chains of 11 residues adopted alternative conformations. A comparison was made with earlier structure determinations. The features of the solvent structure of the erabutoxin molecules are discussed in detail.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0907444998005125
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  • 2
    Electronic Resource
    Electronic Resource
    Crystallization and preliminary X-ray diffraction studies of DNA polymerase from the thermophilic archaeon Sulfolobus solfataricus (1998)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 54 (1998), S. 1002-1004 
    Details
    ISSN: 1399-0047
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The thermophilic and thermostable family B DNA polymerase from the archaeon Sulfolobus solfataricus (Mr of about 100 kDa) has been crystallized by the hanging-drop vapour-diffusion method at 294 K using ammonium sulfate as precipitant. The crystals belong to the monoclinic space group C2 with cell dimensions a = 187.4, b = 68.5, c = 125.8 Å and β = 107.8° and diffract up to 2.7 Å resolution on a rotating-anode X-ray source. Native data have been collected at 100 K. A heavy-atom derivative search is in progress.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0907444998002443
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  • 3
    Electronic Resource
    Electronic Resource
    Two different crystal forms of sorcin, a penta-EF-hand Ca2+-binding protein (2001)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 57 (2001), S. 862-864 
    Details
    ISSN: 1399-0047
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Sorcin is a 198 amino-acid Ca2+-binding protein that belongs to the penta-EF-hand family. Its Ca2+-binding domain (residues 33–198) has been crystallized in the absence of Ca2+ in two different crystal forms. Two complete data sets have been collected on a synchrotron source under cryocooling conditions from crystals grown using ammonium sulfate as precipitant: monoclinic crystals in space group C2, with unit-cell parameters a = 130.93, b = 103.85, c = 78.55 Å, β = 118.0°, diffracting to 2.1 Å, and tetragonal crystals in space group P4212, with unit-cell parameters a = b = 103.33, c = 79.15, diffracting to 2.7 Å. Crystals were also grown using PEG 6000 as precipitating agent. They also belong to space group C2, diffract to 2.8 Å and their unit-cell parameters are very similar to the first form. Structure determination by molecular replacement has been initiated. Structural information should be useful for elucidating the interaction of sorcin with membrane targets.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0907444901004553
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  • 4
    Electronic Resource
    Electronic Resource
    Crystallization and X-ray diffraction measurements of a thermophilic archaeal recombinant amidase from Sulfolobus solfataricus MT4 (2001)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 57 (2001), S. 1036-1037 
    Details
    ISSN: 1399-0047
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Recombinant amidase is a 55.8 kDa enzyme from the thermophilic archaeon Sulfolobus solfataricus MT4 that catalyses the hydrolysis of aliphatic amides of 2–6 C atoms as well as many aromatic amides. Single crystals of purified amidase were obtained by the hanging-drop method at 294 K. Diffraction data for the native protein (2.55 Å resolution) and a putative derivative (2.20 Å) have been collected at low temperature using synchrotron radiation. The crystals belong to the rhombohedral space group R3. Structure determination by multiple isomorphous replacement is in progress. It is expected that structural information from this signatured thermostable amidase will increase our knowledge of the molecular mechanisms employed to maintain high-temperature stability in thermophilic proteins.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0907444901007090
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  • 5
    Electronic Resource
    Electronic Resource
    The crystal and molecular structure of bis(η5-trimethylsilylcyclopentadienyl)titanium(IV) dichloride, Ti(η5-C5H4SiMe 3)2Cl2 (1991)
    Springer
    Monatshefte für Chemie 122 (1991), S. 551-556 
    Details
    ISSN: 1434-4475
    Keywords: Ring substituted titanocenes ; Molecular structure ; X-ray analysis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Zusammenfassung Die Kristall- und Molekülstruktur des Titanocen-Komplexes Ti(η5-C5H4SiMe 3)2Cl2 wurde durch eine Röntgenstrukturanalyse bestimmt. Die Verbindung kristallisiert im triklinen Kristallsystem [a=6.747(8),b=12.815(2),c=12.928(4) Å und α=67.16(2), β=82.29(5), γ=74.83(4)°] in der Raumgruppe $$P\bar 1$$ mit 2 Formeleinheiten pro Elementarzelle. Das Titanatom ist von zwei Chloratomen und den Centroiden der Cyclopentadienylringe umgeben, wobei die Koordination des Titanatoms verzerrt tetraedrisch ist. Die Winkel Cl-Ti-Cl und (Centroid)-Ti-(Centroid) betragen 91.63° bzw. 131.02°.
    Notes: Summary The crystal and molecular structure of the titanocene complex Ti(η5-C5H4SiMe 3)2Cl2 has been determined by X-ray diffraction studies. The compound crystallizes in the triclinic crystal system [a=6.747(8),b=12.815(2),c=12.928(4) Å and α=67.16(2), β=82.29(5), γ=74.83(4)°] in the space group $$P\bar 1$$ with 2 formula units in the unit cell. The coordination about the titanium atom formed by the two chlorine atoms and the centroids of the cyclopentadienyl rings is that of a distorted tetrahedron. The Cl-Ti-Cl angle is 91.63° while the (centroid)-Ti-(centroid) angle is 131.02°.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00809809
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  • 6
    Electronic Resource
    Electronic Resource
    Synthese von 4-Benzylthio- und 4-(Arylthio)-1,3-oxazol-5(2H)-onen (1987)
    New York, NY : Wiley-Blackwell
    Helvetica Chimica Acta 70 (1987), S. 1380-1388 
    Details
    ISSN: 0018-019X
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Synthesis of 4-(Benzylthio)-and 4-(Arylthio)-1,3-oxazole-5(2H)-onesFollowing a known procedure, 4-(benzylthio)-1,3-oxazol-5(2H)-one (4a) was synthesized starting from sodium cyanodithioformate (1) and cyclohexanone (Scheme 1). The structure of the intermediate 4-(benzylthio)-1,3-thiazol-5(2H)-one (3a) was established by X-ray crystallography. An alternative route was developed for the synthesis of 4-(arylthio)-1,3-oxazol-5(2H)-ones which are not accessible by the former reaction. Treatment of ethyl cyanoformate (5) with a thiophenol in the presence of catalytic amounts of Et2NH and TiCl4, followed by addition of a ketone and BF3.Et2O in a one-pot-reaction, gave 4f-i in low-to-fair yields (Scheme 3). Both synthetic pathways-complementary as for benzyl-S and aryl-S derivatives-seem to be limited with respect to variation of substituents of the ketone.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/hlca.19870700518
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