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  • 1
    ISSN: 1520-4995
    Source: ACS Legacy Archives
    Topics: Biology , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 30 (1974), S. 639-645 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Starting with the integral form of the correction factor derived in the previous paper [Holmes & Barrington-Leigh (1974). Acta Cryst. A30, 635-638], the explicit form of the function describing intensity in reciprocal space for slightly disoriented non-crystalline fibres is described, and simplifying approximations are made. Correction factors for real data are calculated, and the validity of the theory tested with data from tobacco mosaic virus gels. A correction factor is also given for crystalline fibres.
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  • 3
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 41 (1985), S. 252-262 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The diffracting particles that give rise to a fiber diffraction pattern are randomly oriented about the fiber axis and, in consequence, the diffraction pattern is cylindrically averaged. The phase problem in fiber diffraction is not only to determine the phase in the usual crystallographic sense, but to overcome the loss of information from this averaging. This has been done by a multi-dimensional analog of protein crystallographic isomorphous replacement, combined with the use of information from the fine splitting of layer lines that occurs when a helical structure repeats approximately, but not exactly, in a given number of turns. The phases thus determined have been refined by a solvent-flattening procedure. They have been further refined by assuming the separation of cylindrically averaged Bessel-order terms (from multi-dimensional isomorphous replacement at an early stage and from a model at a later stage) and applying conventional isomorphous replacement (two-dimensional isomorphous replacement) to determine the phases of the terms. Cycles of model building and two-dimensional isomorphous replacement were found in the case of tobacco mosaic virus to improve greatly the quality of the electron density map, and enabled an atomic model of the virus to be built based on a highly interpretable map at 3.6 Å resolution with five Bessel orders (terms overlapping because of cylindrical averaging) separated.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 38 (1982), S. 417-425 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: In order to calculate electron density maps from fiber diffraction patterns, the terms which superimpose because of cylindrical averaging of the pattern must be separated and their phases determined. This can be done using a technique analogous to the isomorphous replacement method of protein crystallography, but large numbers of heavy-atom derivatives are required. Because of the cylindrical averaging, the number of derivatives increases with increasing resolution. This paper describes a method for measuring the fine splitting of layer lines which occurs when a helical structure repeats approximately, but not exactly, in a given number of turns, and for using this as a source of phase information. The amount of phase information obtainable from each heavy-atom derivative is theoretically doubled since differences in both layer-line intensity and apparent layer-line position can be used, and this substantially increases the resolution attainable with a limited number of derivatives. The method is used to calculate an electron density map of tobacco mosaic virus at 6.7 Å resolution using only two derivatives instead of the four which would have been required using previously available methods.
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  • 5
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 43 (1987), S. 64-69 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Multi-dimensional isomorphous replacement, analogous to isomorphous replacement in protein crystallography, can be used in fiber diffraction analysis to overcome the problems caused by the cylindrical averaging of the intensity data. Large numbers of heavy-atom derivatives are needed, however. A method is presented by which molecular structures may be determined using data from only one or two derivatives, similar to crystallographic single isomorphous replacement. Partial structure information may also be incorporated. Examples are given using data from oriented gels of tobacco mosaic virus, and possibilities for further applications are discussed.
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  • 6
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 45 (1989), S. 254-258 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: R factors in fiber diffraction are generally lower than in conventional crystallography, because of the cylindrical averaging of fiber diffraction data. The probability distributions for fiber diffraction intensities, analogous to Wilson's distributions for crystal diffraction intensities, are derived, and from these the largest likely values of R are estimated. These values depend on the size and symmetry of the diffracting particle and on the resolution of the analysis, and range from 0.586 for systems for very high symmetry (as in crystal diffraction) to much lower values for systems of low symmetry.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 31 (1975), S. 709-718 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: A procedure is given for separating and phasing terms originating from different Bessel-function orders in cylindrically averaged fibre diffraction patterns, using isomorphous heavy-atom derivatives. Model calculations and an application to tobacco mosaic virus are described.
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  • 8
    Electronic Resource
    Electronic Resource
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 43 (1987), S. 533-539 
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Theory applying to difference Fourier syntheses from fiber diffraction data is developed, including the calculation of expected peak heights and noise levels. The signal-to-noise ratio in fiber diffraction difference maps is much lower than in crystallography, because of the multi-dimensional nature of fiber diffraction data, but it is shown by means of examples from tobacco mosaic virus that high-order difference syntheses, for example using coefficients analogous to crystallographic 6Fobs - 5Fcalc, can clearly reveal differences between an observed structure and a model. 'Omit' maps, calculated from models by omitting a region under particular scrutiny, are of limited use in fiber diffraction, but maps calculated from hybrid coefficients derived from both full and partial models have some applications.
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    [s.l.] : Nature Publishing Group
    Nature 254 (1975), S. 192-196 
    ISSN: 1476-4687
    Source: Nature Archives 1869 - 2009
    Topics: Biology , Chemistry and Pharmacology , Medicine , Natural Sciences in General , Physics
    Notes: [Auszug] The electron density distribution of tobacco mosaic virus has been determined to 6.7 Å resolution by analysis of the X-ray diffraction pattern given by oriented gels of the virus. This has been achieved by separation of overlapping Bessel function terms by a technique analogous to ...
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  • 10
    Electronic Resource
    Electronic Resource
    [s.l.] : Nature Publishing Group
    Nature 218 (1968), S. 1049-1050 
    ISSN: 1476-4687
    Source: Nature Archives 1869 - 2009
    Topics: Biology , Chemistry and Pharmacology , Medicine , Natural Sciences in General , Physics
    Notes: [Auszug] A systematic study has now been made of the line width of the phenyl and benzyl-CH2 resonances of PBG as a function of molecular weight in the random coil and a-helical states. In the former case the line width (W) is independent of molecular weight as a result of segmental motion, but with the ...
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