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  • 1
    Electronic Resource
    Electronic Resource
    X-ray crystal structure of the nitrogenase molybdenum-iron protein from Clostridium pasteurianum at 3.0-.ANG. resolution (1993)
    s.l. : American Chemical Society
    Biochemistry 32 (1993), S. 7104-7115 
    Details
    ISSN: 1520-4995
    Source: ACS Legacy Archives
    Topics: Biology , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/bi00079a006
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  • 2
    Electronic Resource
    Electronic Resource
    Crystal and molecular structure of S-deoxo[Ile3]amaninamide: a synthetic analog of Amanita toxins (1984)
    s.l. : American Chemical Society
    Journal of the American Chemical Society 106 (1984), S. 4606-4615 
    Details
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ja00328a051
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  • 3
    Electronic Resource
    Electronic Resource
    Statistical modification of anomalous-scattering differences (1983)
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 39 (1983), S. 512-515 
    Details
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Statistical methodology originally introduced by French & Wilson [Acta Cryst. (1978). A34, 517-525] for the treatment of negative-intensity observations is shown to be useful for the estimation of anomalous-scattering differences. The general principles of this method are described, along with applications to data from a lead derivative of the enzyme carboxypeptidase A.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108767383000999
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  • 4
    Electronic Resource
    Electronic Resource
    An isomorphous replacement method for phasing twinned structures (1987)
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 43 (1987), S. 30-36 
    Details
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: A linear least-squares formulation of the method of isomorphous replacement is presented. With data from untwinned crystals, this approach is shown to be equivalent to the phasing representation developed by Hendrickson & Lattman [Acta Cryst. (1970). B26, 136-143]. A general method for calculating the most probable phase is described and applied to the higher- dimensional problem of phase determination for twinned structures. A method for calculating the best phase with intensity data from twinned crystals is also presented. The dependences of these phasing procedures on the number of derivatives and accuracy of the data sets are evaluated in test calculations.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108767387099951
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  • 5
    Electronic Resource
    Electronic Resource
    Incorporation of experimental phases in a restrained least-squares refinement (1983)
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 39 (1983), S. 94-97 
    Details
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The least-squares refinement of macromolecular structures is characterized by a low ratio of observed data to refined parameters. Efforts have been made to compensate for this problem by incorporating subsidiary restraints into the observational equations. In this paper, a method is proposed and examples given for the introduction of additional observations into a least- squares refinement in the form of experimental phase information.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108767383000173
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  • 6
    Electronic Resource
    Electronic Resource
    The influence of twinning by merohedry on intensity statistics (1980)
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 36 (1980), S. 578-581 
    Details
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: A simple test based on intensity statistics is presented for the detection of twinning by merohedry. Using relationships derived in the text, the twinning fraction of a crystal may be estimated from the intensity probability distribution. Unlike most methods for the detection of twinning, application of this test does not require knowledge of the twinning operation. Two possible mechanisms for increasing the apparent diffraction symmetry of a crystal, twinning by merohedry and crystal disorder, may be distinguished in certain cases by these procedures.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0567739480001234
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  • 7
    Electronic Resource
    Electronic Resource
    A general theory of X-ray intensity statistics for twins by merohedry (1982)
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 38 (1982), S. 201-207 
    Details
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: A general theory of X-ray intensity statistics for twins by merohedry is developed based on mathematical analogy of this problem to a one-dimensional random walk. Probability distribution functions are derived (a) for intensities from a single twinned specimen, and (b) for the differences in intensities from two separate twinned specimens. Theoretical values of a discrepancy index between observed intensities from a twin, and calculated intensities from both correct and incorrect structural models are evaluated. A new method for determining volume fractions of crystals in a twin is also proposed, based on the distribution of differences in intensities between twin-related reflections. These results have implications for the treatment of isomorphous replacement data collected from twins by hemihedry.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S056773948200045X
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  • 8
    Electronic Resource
    Electronic Resource
    Largest likely values for R factors calculated after phase refinement by non-crystallographic symmetry averaging (1983)
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 39 (1983), S. 916-920 
    Details
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The progress of phase refinement by non-crystallographic symmetry averaging is often described by the behavior of a crystallographic R factor expressing agreement between the observed structure factors and structure factors calculated from an averaged electron density map. An upper limit for this R factor is evaluated for the case of incorrectly positioned non-crystallographic symmetry operators. Depending on the degree of non-crystallographic symmetry, the upper limit on R varies from 0.29 to 0.3, for acentric structures. Incorrect structures with the correct non-crystallographic symmetry are anticipated to converge to even lower values of R. In all cases, R values calculated for incorrect structures will be significantly lower than the value of 0.586 characteristic of wrong structures lacking non-crystallographic symmetry [Wilson (1950). Acta Cryst. 3, 397-399].
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S010876738300183X
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  • 9
    Electronic Resource
    Electronic Resource
    Crystallization and X-ray structure determination of cytochrome c2 from Rhodobacter sphaeroides in three crystal forms (1994)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 50 (1994), S. 596-602 
    Details
    ISSN: 1399-0047
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Cytochrome c2 serves as the secondary electron donor that reduces the photo-oxidized bacteriochlorophyll dimer in photosynthetic bacteria. Cytochrome c2 from Rhodobacter sphaeroides has been crystallized in three different forms. At high ionic strength, crystals of a hexagonal space group (P6122) were obtained, while at low ionic strength, triclinic (P1) and tetragonal (P41212) crystals were formed. The three-dimensional structures of the cytochrome in all three crystal forms have been determined by X-ray diffraction at resolutions of 2.20 Å (hexagonal), 1.95 Å, (triclinic) and 1.53 Å (tetragonal). The most significant difference observed was the binding of an imidazole molecule to the iron atom of the heme group in the hexagonal structure. This binding displaces the sulfur atom of Met l00, which forms the axial ligand in the triclinic and tetragonal structures.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0907444994001319
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  • 10
    Electronic Resource
    Electronic Resource
    Nitrogenase: A Nucleotide-Dependent Molecular Switch (1994)
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Biochemistry 63 (1994), S. 235-264 
    Details
    ISSN: 0066-4154
    Source: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Topics: Chemistry and Pharmacology , Biology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1146/annurev.bi.63.070194.001315
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