Zero-dose extrapolation as part of macromolecular synchrotron data reduction

Lade...
Vorschaubild
Dateien
Zu diesem Dokument gibt es keine Dateien.
Datum
2003
Autor:innen
McSweeney, Sean
Ravelli, Raimond B. G.
Herausgeber:innen
Kontakt
ISSN der Zeitschrift
Electronic ISSN
ISBN
Bibliografische Daten
Verlag
Schriftenreihe
Auflagebezeichnung
ArXiv-ID
Internationale Patentnummer
Angaben zur Forschungsförderung
Projekt
Open Access-Veröffentlichung
Open Access Green
Sammlungen
Core Facility der Universität Konstanz
Gesperrt bis
Titel in einer weiteren Sprache
Forschungsvorhaben
Organisationseinheiten
Zeitschriftenheft
Publikationstyp
Zeitschriftenartikel
Publikationsstatus
Published
Erschienen in
Acta Crystallographica, Section D. 2003, 59(5), pp. 903-909. ISSN 0907-4449. Available under: doi: 10.1107/S0907444903006516
Zusammenfassung

Radiation damage to macromolecular crystals at third-generation synchrotron sites constitutes a major source of systematic error in X-ray data collection. Here, a computational method to partially correct the observed intensities during data reduction is described and investigated. The method consists of a redundancy-based zero-dose extrapolation of a decay function that is fitted to the intensities of all observations of a unique reflection as a function of dose. It is shown in a test case with weak anomalous signal that this conceptually simple correction, when applied to each unique reflection, can significantly improve the accuracy of averaged intensities and single-wavelength anomalous dispersion phases and leads to enhanced experimental electron-density maps. Limitations of and possible improvements to the method are discussed.

Zusammenfassung in einer weiteren Sprache
Fachgebiet (DDC)
570 Biowissenschaften, Biologie
Schlagwörter
radiation damage, zero-dose extrapolation
Konferenz
Rezension
undefined / . - undefined, undefined
Zitieren
ISO 690DIEDERICHS, Kay, Sean MCSWEENEY, Raimond B. G. RAVELLI, 2003. Zero-dose extrapolation as part of macromolecular synchrotron data reduction. In: Acta Crystallographica, Section D. 2003, 59(5), pp. 903-909. ISSN 0907-4449. Available under: doi: 10.1107/S0907444903006516
BibTex
@article{Diederichs2003Zerod-6590,
  year={2003},
  doi={10.1107/S0907444903006516},
  title={Zero-dose extrapolation as part of macromolecular synchrotron data reduction},
  number={5},
  volume={59},
  issn={0907-4449},
  journal={Acta Crystallographica, Section D},
  pages={903--909},
  author={Diederichs, Kay and McSweeney, Sean and Ravelli, Raimond B. G.}
}
RDF
<rdf:RDF
    xmlns:dcterms="http://purl.org/dc/terms/"
    xmlns:dc="http://purl.org/dc/elements/1.1/"
    xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
    xmlns:bibo="http://purl.org/ontology/bibo/"
    xmlns:dspace="http://digital-repositories.org/ontologies/dspace/0.1.0#"
    xmlns:foaf="http://xmlns.com/foaf/0.1/"
    xmlns:void="http://rdfs.org/ns/void#"
    xmlns:xsd="http://www.w3.org/2001/XMLSchema#" > 
  <rdf:Description rdf:about="https://kops.uni-konstanz.de/server/rdf/resource/123456789/6590">
    <dc:language>eng</dc:language>
    <dc:contributor>McSweeney, Sean</dc:contributor>
    <void:sparqlEndpoint rdf:resource="http://localhost/fuseki/dspace/sparql"/>
    <dcterms:hasPart rdf:resource="https://kops.uni-konstanz.de/bitstream/123456789/6590/1/Zero_dose_extrapolation_as_part_of_macromolecular_synchrotron_data_reduction.pdf"/>
    <dcterms:rights rdf:resource="http://creativecommons.org/licenses/by-nc-nd/2.0/"/>
    <dcterms:isPartOf rdf:resource="https://kops.uni-konstanz.de/server/rdf/resource/123456789/28"/>
    <dcterms:abstract xml:lang="eng">Radiation damage to macromolecular crystals at third-generation synchrotron sites constitutes a major source of systematic error in X-ray data collection. Here, a computational method to partially correct the observed intensities during data reduction is described and investigated. The method consists of a redundancy-based zero-dose extrapolation of a decay function that is fitted to the intensities of all observations of a unique reflection as a function of dose. It is shown in a test case with weak anomalous signal that this conceptually simple correction, when applied to each unique reflection, can significantly improve the accuracy of averaged intensities and single-wavelength anomalous dispersion phases and leads to enhanced experimental electron-density maps. Limitations of and possible improvements to the method are discussed.</dcterms:abstract>
    <dspace:isPartOfCollection rdf:resource="https://kops.uni-konstanz.de/server/rdf/resource/123456789/28"/>
    <dcterms:bibliographicCitation>First publ. in: Acta Crystallographica, Section D 59 (2003), pp. 903-909</dcterms:bibliographicCitation>
    <dc:rights>Attribution-NonCommercial-NoDerivs 2.0 Generic</dc:rights>
    <dcterms:title>Zero-dose extrapolation as part of macromolecular synchrotron data reduction</dcterms:title>
    <foaf:homepage rdf:resource="http://localhost:8080/"/>
    <dc:format>application/pdf</dc:format>
    <dcterms:available rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2011-03-24T17:27:38Z</dcterms:available>
    <dc:contributor>Diederichs, Kay</dc:contributor>
    <bibo:uri rdf:resource="http://kops.uni-konstanz.de/handle/123456789/6590"/>
    <dc:date rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2011-03-24T17:27:38Z</dc:date>
    <dc:creator>Ravelli, Raimond B. G.</dc:creator>
    <dc:creator>McSweeney, Sean</dc:creator>
    <dc:creator>Diederichs, Kay</dc:creator>
    <dc:contributor>Ravelli, Raimond B. G.</dc:contributor>
    <dspace:hasBitstream rdf:resource="https://kops.uni-konstanz.de/bitstream/123456789/6590/1/Zero_dose_extrapolation_as_part_of_macromolecular_synchrotron_data_reduction.pdf"/>
    <dcterms:issued>2003</dcterms:issued>
  </rdf:Description>
</rdf:RDF>
Interner Vermerk
xmlui.Submission.submit.DescribeStep.inputForms.label.kops_note_fromSubmitter
Kontakt
URL der Originalveröffentl.
Prüfdatum der URL
Prüfungsdatum der Dissertation
Finanzierungsart
Kommentar zur Publikation
Allianzlizenz
Corresponding Authors der Uni Konstanz vorhanden
Internationale Co-Autor:innen
Universitätsbibliographie
Nein
Begutachtet
Diese Publikation teilen