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  • 1
    Electronic Resource
    Electronic Resource
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 52 (1996), S. 1049-1057 
    ISSN: 1399-0047
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The pentameric structure of C-reactive proteins (CRP) has been derived by a combination of automated and manual molecular-replacement techniques. The method is generally applicable to other multimeric assemblies. The highly homologous human serum amyloid P component (hSAP) structure fails to provide a pentameric molecular-replacement solution for CRP. In the absence of a significant signal from an individual protomer, the hSAP structure has been manually modified in terms of protomer assembly to provide the true pentameric model of CRP. The CRP protomers are rotated or twisted by 14° about an axis, through the protomer centre, which is approximately perpendicular to the pentamer radius and the molecular fivefold axis. The results demonstrate clearly that protomers with very similar folds arising from high sequence homology need not necessarily be assembled together in the same way although the symmetry of the resulting oligomer may be maintained. In a curious twist the CRP structure which provided the general CRP model remains unsolved, while the model itself has so far provided the solution of two other CRP structures.
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  • 2
    ISSN: 1749-6632
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Natural Sciences in General
    Type of Medium: Electronic Resource
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  • 3
    ISSN: 1476-4687
    Source: Nature Archives 1869 - 2009
    Topics: Biology , Chemistry and Pharmacology , Medicine , Natural Sciences in General , Physics
    Notes: [Auszug] The white synchrotron radiation beam from a storage ring diverges from a small region at the tangent point of the beam line. A narrow wavelength band can be selected from this beam by reflection from a crystal monochromator; a cylindrically curved monochromator produces a converging X-ray beam. At ...
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  • 4
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The size and shape of diffraction spots produced by monochromated synchrotron X-radiation from a singly bent triangular monochromator are derived following a simpler more comparative treatment given in earlier work on reflecting range and prediction of partiality for oscillation camera data [Greenhough & Helliwell (1982). J. Appl. Cryst. 15, 493–508]. In that treatment the possibility of a polychromatic experiment {[see Arndt Nucl. Instrum. Methods (1978), 152, 307–311] for an earlier suggestion} was identified and here the energy profile within each diffraction spot is derived along with the spectral resolution ∂E/E at any point in the profile due to experimental conditions and sample characteristics. A firm theoretical basis is established so that experimental problems and procedures can be discussed with a view to optimizing the method in the light of the presentation of the first reported polychromatic experiment [Arndt, Greenhough, Helliwell, Howard, Rule & Thompson (1982). Nature (London), 298, 835–838].
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  • 5
    Electronic Resource
    Electronic Resource
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 23 (1990), S. 169-174 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Single-crystal synchrotron-radiation Laue photographs of protein crystals and viruses are densely populated and a considerable amount of spatial overlapping of spots often occurs on the films. An integration procedure which enables the efficient deconvolution of these spots in order to obtain their integrated intensity has been developed and implemented. Some results are given for glycogen phosphorylase b and tomato bushy stunt virus. A comparative study of reflections overlapped on one exposure and separated on another, taken from the same crystal at a longer crystal-to-film distance, gives merging statistics comparable to those from the treatment of spatially separated spots only. In all cases the majority of the spatially overlapped data is made available for subsequent analyses.
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  • 6
    Electronic Resource
    Electronic Resource
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 27 (1994), S. 111-121 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Many Laue diffraction patterns from crystals of particular biological or chemical interest are of insufficient quality for their analysis to be feasible. In many cases, this is because of pronounced streaking of the spots owing to either large mosaic spread or disorder introduced during reactions in the crystal. Methods for the analysis of exposures exhibiting radial or near-radial streaking are described, along with their application in Laue diffraction studies of form-II crystals of Met-tRNA synthetase and a photosynthetic reaction centre from Rhodobacter sphaeroides. In both cases, variable elliptical radial masking has led to significant improvements in data quality and quantity and exposures that previously were too streaked to process may now be analysed. These masks can also provide circular profiles as a special case for processing high-quality Laue exposures and spatial-overlap deconvolution may be performed using the elliptical or circular masks.
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  • 7
    Electronic Resource
    Electronic Resource
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 493-508 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Monochromated synchrotron X-radiation from a singly bent triangular perfect-crystal monochromator system, uniformly adapted at LURE, DORIS and the SRS, offers considerable improvement in exposure times for protein single-crystal oscillation photography with improved resolution of data and better signal to noise. There are important differences in the diffraction geometry with such a system compared to a conventional laboratory experimental arrangement. In particular, an asymmetric beam cross fire, a spectral bandwidth that is variable over a wide magnitude and a correlation between the direction of the incident ray and its photon wavelength. These new considerations considerably affect the data processing considerations in oscillation camera work since they affect the appropriate flagging of partial reflections. As in an earlier treatment for conventional sources [Greenhough & Helliwell (1982). J. Appl. Cryst. 15, 338–351], reflecting-range formulae are derived from first principles, leading to expressions from which partiality can be calculated. It is shown that the general equations for monochromated synchrotron X-radiation reduce to those for conventional sources when the characteristics of the former are removed. The often observed difference between spot sizes on opposite sides of the oscillation film, under certain conditions in the synchrotron case considered, is explained. At the Guinier position the equations reduce to those for a conventional source with asymmetric beam cross fire [Greenhough & Helliwell (1982). J. Appl. Cryst. 15, 338–351] with spots comparably placed on either side of the film showing no size difference due to the incident radiation. In view of the interest in the possibility of polychromatic single-crystal studies [Arndt, Greenhough, Helliwell, Howard, Rule & Thompson (1982). Nature (London). In the press] the vertical-rotation-axis equations are also derived. In both cases large differences in reflecting range, when working away from the Guinier position, are predicted for reflections identically placed except for the sense of horizontal displacement, with the elongated spots containing variable-wavelength information along their length. In order to find suitable values for use in the diffraction equations, the properties of the monochromator are discussed; this also leads to the conclusion that the full sampling of absorption-edge fine structure is feasible as demonstrated by Helliwell et al. [Acta Cryst. (1981). A37, C316].
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  • 8
    Electronic Resource
    Electronic Resource
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 15 (1982), S. 338-351 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Expressions are developed for reflecting range from various models, and the practical application of these in terms of reflection prediction and calculation of partiality is discussed here for conventional sources. Synchrotron sources utilizing focusing monochromator systems, where the wavelength of the radiation incident at the sample is correlated with the angular direction of that radiation, are dealt with elsewhere. Even for conventional sources spectral dispersion is shown to be an important factor, particularly in the case of high-resolution data. The various published methods are discussed and expressions are derived from first principles showing that all are inherently equivalent, differing only when approximations are used, and revealing a missing factor of two in the treatments of Rossmann [J. Appl. Cryst. (1979), 12, 225–238] and Rossmann, Leslie, Abdel-Meguid & Tsukihara [J. Appl. Cryst. (1979), 12, 570–581]. Particular emphasis is placed on the method which uses a spherical reciprocal-lattice volume element whose dimensions are designed to reproduce the expected or observed reflecting ranges, showing that for all practical purposes the effects of beam cross-fire, mosaic spread and spectral dispersion can be adequately simulated by such a volume. The equations for reflecting range are of particular interest in the electronic stationary-picture method and in the use of electronic area detectors.
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  • 9
    Electronic Resource
    Electronic Resource
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 19 (1986), S. 400-409 
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: The accuracy of oscillation camera data in macromolecular crystallography is dependent upon a variety of factors including crystal quality, experimental conditions and the processing of the data itself. In cases where the best possible data have been collected on film or by use of an area detector, an accurate knowledge of the data collection conditions and a careful choice of the processing technique generally provide structure amplitudes far superior to those obtained by less exhaustive procedures. Particular areas in the processing of oscillation camera data which require careful attention are the choice of a rocking curve, the prediction and treatment of partial reflections if they are present, the method of integration of the full reflections and post-refinement procedures for the verification and improvement of the crystal setting matrix and experimental conditions. A detailed description of these procedures is given for the processing of film data from a synchrotron source. In particular, it is shown that profile-fitting techniques are far superior to simple summation, while a theoretically justified profile fitting of partial reflections is shown to improve these measurements greatly, particularly where contiguous film summation is used. These modifications are shown to give a considerable increase in the number of significant intensities towards the resolution limit. Partial bias is discussed in terms of the integration method employed, fraction recorded and resolution.
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  • 10
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Transmission Laue diffraction photographs can be recorded with short exposure times from stationary macromolecular and small-molecule crystals. With the use of a broad wavelength band a very large number of reflections is stimulated in a single `snapshot' of large regions of reciprocal space. Processing software has been developed which allows quantitation of the Laue data without resort to monochromatic data. The procedures have been developed and the software strategies optimized by using test data recorded on the SRS wiggler from a protein, pea lectin, and small-molecule crystals. These latter include an organic molecule, trimethyl-1H-2,1,3-benzophosphadiazine-4(3H)-thione 2,2-disulfide, referred to as BPD, and a rhodium complex, [Rh6(CO)14(dppm)], where dppm is Ph2PCH2PPh2, referred to as RHCOP. Monochromatic data were available for comparison.
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