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  • 1
    Electronic Resource
    Electronic Resource
    {4,4′-Bis[p-(diethylamino)-α-styryl]-2,2′-bipyridine}tricarbonylchlororhenium(I) (2001)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 57 (2001), S. m164-m166 
    Details
    ISSN: 1600-5368
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: In the title compound [ReCl(C34H38N4)(CO)3], the Re atom has a distorted octahedral configuration. The bipyridine part of the DEAS–bpy ligand and two carbonyl groups occupy the equatorial plane of the complex, with the third carbonyl ligand and the Cl atom in the axial positions. The organic ligand is essentially planar, giving rise to an extended π-conjugated system.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S1600536801004573
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  • 2
    Electronic Resource
    Electronic Resource
    Human tissue analysis by small-angle X-ray scattering (2000)
    Copenhagen : International Union of Crystallography (IUCr)
    Applied crystallography online 33 (2000), S. 511-514 
    Details
    ISSN: 1600-5767
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Geosciences , Physics
    Notes: Molecular structure of pathologically changed biological tissue differs greatly from the normal one. It gives the opportunity to diagnose different diseases by using methods of structural tissue analysis. The present paper is based on Ultra-Low Angle X-ray (ULAX) coherent scattering data from 1000 paired samples of mammary gland tissue dissected during the surgical treatment from 500 patients with different types of breast tumours (malignant or benign) and tumour-like formations (fibrocystic change). The medical data (histological and histostereometrical analysis) and the digital scattering information have been compared by regression analysis to produce the scattering pattern recognition code that demonstrates the high sensitivity of the ULAX method.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0021889800099945
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  • 3
    Electronic Resource
    Electronic Resource
    4-Hydroxy-1-methyl-2-oxo-N-(4-oxo-2-propyl-3,4-dihydroquinazolin-3-yl)-1,2-dihydroquinoline-3-carboxamide (2000)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 56 (2000), S. e168-e169 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The two bicyclic fragments of the title compound, C22H20N4O4, are individually planar and are turned with respect to each other by 77.8 (2)°. The formation of intramolecular O—H...O and N—H...O hydrogen bonds causes considerable changes in the bond lengths within the amidopyridine fragment.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270100003887
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  • 4
    Electronic Resource
    Electronic Resource
    Purification, crystallization and preliminary X-ray analysis of haemoglobin I from the armoured catfish Liposarcus anisitsi (2000)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 56 (2000), S. 495-497 
    Details
    ISSN: 1399-0047
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Liposarcus anisitsi is an armoured catfish that presents accessorial air oxygenation through a modified stomach, which allows this species to survive in waters with very low oxygen content. Analysis of its haemolysate has shown the presence of four haemoglobins; this work focuses on the main component, haemoglobin I. It has been crystallized in two different forms and X-ray diffraction data have been collected to 2.77 and 2.86 Å resolution using synchrotron radiation. Crystals were determined to belong to the space groups C2 and P21 and preliminary structural analysis revealed the presence of one tetramer in the asymmetric unit in both crystal forms. The structure was determined using a standard molecular-replacement technique.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0907444900001724
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  • 5
    Electronic Resource
    Electronic Resource
    The high-mosaicity illusion: revealing the true physical characteristics of macromolecular crystals (2000)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 56 (2000), S. 986-995 
    Details
    ISSN: 1399-0047
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Typical measurements of macromolecular crystal mosaicity are dominated by the characteristics of the X-ray beam and as a result the mosaicity value given during data processing can be an artifact of the instrumentation rather than the sample. For physical characterization of crystals, an experimental system and software have been developed to simultaneously measure the diffraction resolution and mosaic spread of macromolecular crystals. The contributions of the X-ray beam to the reflection angular widths were minimized by using a highly parallel, highly monochromatic synchrotron source. Hundreds of reflection profiles over a wide resolution range were rapidly measured using a charge-coupled device (CCD) area detector in combination with superfine φ-slicing data collection. The Lorentz effect and beam contributions were evaluated and deconvoluted from the recorded data. Data collection and processing is described. From 1° of superfine φ-slice data collected on a crystal of manganese superoxide dismutase, the mosaicities of 260 reflections were measured. The average mosaicity was 0.0101° (s.d. 0.0035°) measured as the full-width at half-maximum (FWHM) and ranged from 0.0011 to 0.0188°. Each reflection profile was individually fitted with two Gaussian profiles, with the first Gaussian contributing 55% (s.d. 9%) and the second contributing 35% (s.d. 9%) of the reflection. On average, the deconvoluted width of the first Gaussian was 0.0054° (s.d. 0.0015°) and the second was 0.0061° (s.d. 0.0023°). The mosaicity of the crystal was anisotropic, with FWHM values of 0.0068, 0.0140 and 0.0046° along the a,  b and c axes, respectively. The anisotropic mosaicity analysis indicates that the crystal is most perfect in the direction that corresponds to the favored growth direction of the crystal.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0907444900007356
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  • 6
    Electronic Resource
    Electronic Resource
    Evaluation of phase accuracy via topological and geometrical analysis of electron-density maps (2000)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 56 (2000), S. 1421-1429 
    Details
    ISSN: 1399-0047
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: An empirical function is developed to measure the protein-like character of electron-density maps. The function is based upon a systematic analysis of numerous local and global map properties or descriptors. Local descriptors measure the occurrence throughout the unit cell of unique patterns on various defined templates, while global descriptors enumerate topological characteristics that define the connectivity and complexity of electron-density isosurfaces. We examine how these quantitative descriptors vary as error is introduced into the phase sets used to generate maps. Informative descriptors are combined in an optimal fashion to arrive at a predictive function. When the topological and geometrical analysis is applied to protein maps generated from phase sets with varying amounts of error, the function is able to estimate changes in average phase error with an accuracy of better than 10°. Additionally, when used to monitor maps generated with experimental phases from different heavy-atom models, the analysis clearly distinguishes between the correct heavy-atom substructure solution and incorrect heavy-atom solutions. The function is also evaluated as a tool to monitor changes in map quality and phase error before and after density-modification procedures.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0907444900011227
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  • 7
    Electronic Resource
    Electronic Resource
    Purification, crystallization and initial X-ray analysis of the head–tail connector of bacteriophage φ29 (2000)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 56 (2000), S. 1187-1190 
    Details
    ISSN: 1399-0047
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The head–tail connector of bacteriophage φ29, an oligomer of gene product 10 (gp10), was crystallized into various forms. The most useful of these were an orthorhombic P22121 form (unit-cell parameters a = 143.0, b = 157.0, c = 245.2 Å), a monoclinic C2 form (a = 160.7, b = 143.6, c = 221.0 Å, β = 97.8°) and another monoclinic C2 form (a = 177.0, b = 169.1, c = 185.2 Å, β = 114.1°). Frozen crystals diffracted to about 3.2 Å resolution. There is one connector per crystallographic asymmetric unit in each case. Rotation functions show the connector to be a dodecamer. Translation functions readily determined the position of the 12-fold axis in each unit cell. The structure is being determined by 12-fold electron-density averaging within each crystal and by averaging between the various crystal forms.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0907444900009239
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  • 8
    Electronic Resource
    Electronic Resource
    Structure of fibroblast growth factor 9 shows a symmetric dimer with unique receptor- and heparin-binding interfaces (2001)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 57 (2001), S. 378-384 
    Details
    ISSN: 1399-0047
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Fibroblast growth factors (FGFs) constitute a family of at least 20 structurally related heparin-binding polypeptides active in regulating cell growth, survival, differentiation and migration. FGF9, originally discovered as a glia-activating factor, shares 30% sequence identity with other FGFs and has a unique spectrum of target-cell specificity. FGF9 crystallized in the tetragonal space group I41, with unit-cell parameters a = b = 151.9, c = 117.2 Å. The structure of the glycosylated protein has been refined to an R value of 21.0% with Rfree = 24.8%) at 2.6 Å resolution. The four molecules in the asymmetric unit are arranged in two non-crystallographic dimers, with the dimer interface composed partly of residues from N- and C-terminal extensions from the FGF core structure. Most of the receptor-binding residues identified in FGF1– and FGF2–receptor complexes are buried in the dimer interface, with the β8–β9 loop stabilized in a particular conformation by an intramolecular hydrogen-bonding network. The potential heparin-binding sites are in a pattern distinct from FGF1 and FGF2. The carbohydrate moiety attached at Asn79 has no structural influence.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0907444900020813
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  • 9
    Electronic Resource
    Electronic Resource
    Crystallization and preliminary X-ray study of haem-binding protein from the bloodsucking insect Rhodnius prolixus (2001)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 57 (2001), S. 860-861 
    Details
    ISSN: 1399-0047
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Rhodnius haem-binding protein (RHBP) from the bloodsucking insect Rhodnius prolixus, a 15 kDa protein, has been crystallized using polyethylene glycol as a precipitant. X-ray diffraction data have been collected at a synchrotron source. The crystals belong to the space group P41(3)212, with unit-cell parameters a = b = 64.98, c = 210.68 Å, and diffract beyond 2.6 Å resolution.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0907444901004437
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  • 10
    Electronic Resource
    Electronic Resource
    A test of macromolecular crystallization in microgravity: large well ordered insulin crystals (2001)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 57 (2001), S. 1204-1207 
    Details
    ISSN: 1399-0047
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Crystals of insulin grown in microgravity on Space Shuttle Mission STS-95 were extremely well ordered and unusually large (many 〉2 mm). The physical characteristics of six microgravity and six earth-grown crystals were examined by X-ray analysis employing superfine φ slicing and unfocused synchrotron radiation. This experimental setup allowed hundreds of reflections to be precisely examined from each crystal in a short period of time. The microgravity crystals were on average 34 times larger, had sevenfold lower mosaicity, had 54-fold higher reflection peak heights and diffracted to significantly higher resolution than their earth-grown counterparts. A single mosaic domain model could account for the observed reflection profiles in microgravity crystals, whereas data from earth crystals required a model with multiple mosaic domains. This statistically significant and unbiased characterization indicates that the microgravity environment was useful for the improvement of crystal growth and the resultant diffraction quality in insulin crystals and may be similarly useful for macromolecular crystals in general.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0907444901007892
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