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  • 1
    Electronic Resource
    Electronic Resource
    Enhancement of the method of molecular replacement by incorporation of known structural information (1994)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 50 (1994), S. 675-686 
    Details
    ISSN: 1399-0047
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Crystals of macromolecules often have two or more molecules per asymmetric unit, or contain domains of a macromolecule or a macromolecular complex that are structurally independent. In such cases the conventional molecular-replacement method attempts to determine the position of each structural unit independently. Typically, some parts of the structure can be determined more easily or more reliably than other parts. Methods are proposed whereby information from a part of a crystal structure that has been determined can be used to help determine the structure of the remainder. Two different strategies are discussed, `subtraction' and `addition'. With `subtraction' strategy the Patterson function of the known part of the structure is subtracted from the `observed' Patterson. This approach is found to be most effective in the context of the rotation function in that it eliminates peaks that are irrelevant to the desired solution. With `addition' strategy the structure factors of the known component are added to those of the search model. This procedure is most effective in the context of the translation function because it brings the structure factors calculated from the search model closer to those observed. Methods of applying the fast Fourier transform to facilitate these calculations are described. A number of examples are provided including structures of mutants of T4 lysozyme that might not have been solved without recourse to the proposed methods. A method of including information from a heavy-atom derivative in a translation function is also developed and shown to be superior in some situations to the conventional translation function.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0907444994002295
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  • 2
    Electronic Resource
    Electronic Resource
    Crystallization and preliminary X-ray diffraction studies of recombinant staphylokinase (1996)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 52 (1996), S. 564-565 
    Details
    ISSN: 1399-0047
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Staphylokinase, a fibrin-specific plasminogen activator, was highly expressed in Escherichia coli and purified by ion-exchange and gel-filtration chromatography. The purified recombinant staphylokinase was fully active and readily crystallized against 1.2 M sodium citrate in 100 mM Tris–HCl buffer at pH 8.0 using the hanging-drop method. Crystals of staphylokinase diffract to better than 2.2 Å resolution. The crystal belongs to the tetragonal space group P41212 or its enantiomorph with unit-cell parameters a = b = 67.5, c = 150.1 Å. There are two molecules in the asymmetric unit. In this paper, we described the first crystallization of a kind of plasminogen activator and present the results of preliminary X-ray diffraction data from the native protein.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0907444995013552
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  • 3
    Electronic Resource
    Electronic Resource
    3,4-Dimethoxybenzaldehyde Isonicotinoylhydrazone (1997)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 53 (1997), S. 775-777 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270197000516
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  • 4
    Electronic Resource
    Electronic Resource
    Structure of the 1:1 complex of 6,6'-diquinolyl ether with 5,5-diethylbarbituric acid (1992)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 48 (1992), S. 2096-2098 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S010827019200828X
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  • 5
    Electronic Resource
    Electronic Resource
    STRAT: a program to optimize X-ray data collection on an area detector system (1993)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 26 (1993), S. 457-462 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: STRAT is a Fortran program to optimize the efficiency of data collection on an X-ray area detector system, starting with the crystal in any arbitrary alignment. The high speed of the algorithm makes it possible to select the `best' combination of crystal rotations from a large list of possibilities. The program is applicable to any space group and requires only a few minutes of CPU time on a VAX station 4000.60 computer. The procedure can be used for the collection of data de novo and also in cases where part of a data set has already been measured. Although specifically designed for a system with a three-circle goniostat, the procedure is adaptable to other geometries.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889892013165
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  • 6
    Electronic Resource
    Electronic Resource
    A high-temperature environmental chamber for nuclear-resonant Bragg scattering studies (1998)
    Chester : International Union of Crystallography (IUCr)
    Journal of synchrotron radiation 5 (1998), S. 949-951 
    Details
    ISSN: 1600-5775
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: A compact environmental chamber with a furnace operating in the range from room temperature to about 900 K has been built for a high-temperature nuclear-resonant Bragg scattering study. The compact size (75 mm diameter and 70 mm depth) allows an external magnetic field to be applied from outside permanent Nd–Fe–B alloy magnets; a magnetic field up to 1000 G has been obtained. The chamber can be mounted on a precise θ–2θ goniometer so that in situ observations of X-ray diffraction from a single crystal can be carried out. The temperature is measured by two thermocouples placed at the top and back of the sample and controlled by a PID controller. The temperature fluctuation of the chamber is less than ±1 K.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0909049597014088
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  • 7
    Electronic Resource
    Electronic Resource
    EDPDB: a multifunctional tool for protein structure analysis (1995)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 28 (1995), S. 624-630 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: EDPDB is a Fortran program that simplifies the analysis of protein structure and makes it easy to extract various types of geometrical and biologically relevant information for the molecule both in isolation as well as in its crystallographic context. EDPDB offers a large set of functions by which the user can evaluate, select and manipulate the coordinates of protein structures. Types of calculation available include the determination of solvent accessibility, bond lengths and torsion angles, determination of the van der Waals volume of a group of atoms, determination of the best-fit plane through a set of points, evaluation of crystal contacts between a molecule in a crystal and all symmetry-related molecules, and the determination of `hinge-bending' motion between protein domains. It is also possible to compare different structures, to perform coordinate manipulations and to edit coordinate files. The program augments the graphic analysis of protein structure by allowing the user to construct a simple set of commands that will rapidly screen an entire structure. It may also make special purpose analyses feasible without complicated programming.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889895001063
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  • 8
    Electronic Resource
    Electronic Resource
    Computerized Linear Coordinate Nets in Crystallography (1996)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 29 (1996), S. 24-28 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: On the basis of the gnomonic projection, a new concept, the linear coordinate net (LCN) of crystals, is presented. With such nets, the Miller indices of Laue spots and the orientation of the crystal can be read directly without any calculation or graphical operation. These nets can be constructed with an IBM personal computer. In this paper, the principle and formulas, the computer program for constructing the nets and the applications of the LCNs are described. The main applications are when the incident X-rays are in a low-indices direction or are perpendicular to a plane with low Miller indices.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889895008764
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  • 9
    Electronic Resource
    Electronic Resource
    X-ray parametric scattering by a diamond crystal (1998)
    Chester : International Union of Crystallography (IUCr)
    Journal of synchrotron radiation 5 (1998), S. 980-982 
    Details
    ISSN: 1600-5775
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Spontaneous X-ray parametric scattering from a diamond single crystal has been observed at the Photon Factory. The high perfection of the diamond single crystal and the small angular divergence of synchrotron radiation has enabled down-converted X-ray photon pairs to scatter into two small solid angles which satisfy the phase-matching condition. High-efficiency noise reduction was performed using avalanche photodiode detectors with good time resolution.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0909049597020232
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  • 10
    Electronic Resource
    Electronic Resource
    Two-Photon Correlations in X-rays from a Synchrotron Radiation Source (1997)
    Chester : International Union of Crystallography (IUCr)
    Journal of synchrotron radiation 4 (1997), S. 199-203 
    Details
    ISSN: 1600-5775
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The intensity correlation experiment using visible light performed by Hanbury Brown & Twiss [Nature (London) (1956), 177, 27–29] is extended to X-ray wavelengths. Correlations of 14.4 keV X-ray photons from a synchrotron radiation source are observed by the coincidence counting technique. The high brilliance of synchrotron radiation available in the Tristan main ring enables the observation of two-photon correlations with a reasonable measurement time.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0909049597006912
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