Localization and orientation of heavy-atom cluster compounds in protein crystals using molecular replacement
- Publikationstyp:
- Zeitschriftenaufsatz
- Metadaten:
-
- Autoren
- Sven O Dahms
- Miriam Kuester
- Carsten Streb
- Christian Roth
- Norbert Straeter
- Manuel E Than
- Autoren-URL
- https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=fis-test-1&SrcAuth=WosAPI&KeyUT=WOS:000314645000015&DestLinkType=FullRecord&DestApp=WOS_CPL
- DOI
- 10.1107/S0907444912046008
- Externe Identifier
- Clarivate Analytics Document Solution ID: 085WM
- PubMed Identifier: 23385464
- ISSN
- 0907-4449
- Zeitschrift
- ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY
- Paginierung
- 284 - 297
- Datum der Veröffentlichung
- 2013
- Status
- Published
- Titel
- Localization and orientation of heavy-atom cluster compounds in protein crystals using molecular replacement
- Sub types
- Article
- Ausgabe der Zeitschrift
- 69
Datenquelle: Web of Science (Lite)
- Andere Metadatenquellen:
-
- Autoren
- Sven O Dahms
- Miriam Kuester
- Carsten Streb
- Christian Roth
- Norbert Sträter
- Manuel E Than
- DOI
- 10.1107/s0907444912046008
- eISSN
- 1399-0047
- ISSN
- 0907-4449
- Ausgabe der Veröffentlichung
- 2
- Zeitschrift
- Acta Crystallographica Section D Biological Crystallography
- Online publication date
- 2013
- Paginierung
- 284 - 297
- Datum der Veröffentlichung
- 2013
- Status
- Published
- Herausgeber
- International Union of Crystallography (IUCr)
- Herausgeber URL
- http://dx.doi.org/10.1107/s0907444912046008
- Datum der Datenerfassung
- 2022
- Titel
- Localization and orientation of heavy-atom cluster compounds in protein crystals using molecular replacement
- Ausgabe der Zeitschrift
- 69
Datenquelle: Crossref
- Abstract
- Heavy-atom clusters (HA clusters) containing a large number of specifically arranged electron-dense scatterers are especially useful for experimental phase determination of large complex structures, weakly diffracting crystals or structures with large unit cells. Often, the determination of the exact orientation of the HA cluster and hence of the individual heavy-atom positions proves to be the critical step in successful phasing and subsequent structure solution. Here, it is demonstrated that molecular replacement (MR) with either anomalous or isomorphous differences is a useful strategy for the correct placement of HA cluster compounds. The polyoxometallate cluster hexasodium α-metatungstate (HMT) was applied in phasing the structure of death receptor 6. Even though the HA cluster is bound in alternate partially occupied orientations and is located at a special position, its correct localization and orientation could be determined at resolutions as low as 4.9 Å. The broad applicability of this approach was demonstrated for five different derivative crystals that included the compounds tantalum tetradecabromide and trisodium phosphotungstate in addition to HMT. The correct placement of the HA cluster depends on the length of the intramolecular vectors chosen for MR, such that both a larger cluster size and the optimal choice of the wavelength used for anomalous data collection strongly affect the outcome.
- Addresses
- Protein Crystallography Group, Leibniz Institute for Age Research - Fritz Lipmann Institute (FLI), Beutenbergstrasse 11, D-07745 Jena, Germany. sdahms@fli-leibniz.de
- Autoren
- Sven O Dahms
- Miriam Kuester
- Carsten Streb
- Christian Roth
- Norbert Sträter
- Manuel E Than
- DOI
- 10.1107/s0907444912046008
- eISSN
- 1399-0047
- Externe Identifier
- PubMed Identifier: 23385464
- PubMed Central ID: PMC3565441
- Open access
- true
- ISSN
- 0907-4449
- Ausgabe der Veröffentlichung
- Pt 2
- Zeitschrift
- Acta crystallographica. Section D, Biological crystallography
- Schlüsselwörter
- Animals
- Humans
- Mice
- Metals, Heavy
- Muramidase
- Ubiquitin-Activating Enzymes
- Receptors, Tumor Necrosis Factor
- Crystallography, X-Ray
- Molecular Weight
- Electrons
- Scattering, Radiation
- Models, Molecular
- Databases, Protein
- Sprache
- eng
- Medium
- Print-Electronic
- Online publication date
- 2013
- Open access status
- Open Access
- Paginierung
- 284 - 297
- Datum der Veröffentlichung
- 2013
- Status
- Published
- Publisher licence
- CC BY
- Datum der Datenerfassung
- 2013
- Titel
- Localization and orientation of heavy-atom cluster compounds in protein crystals using molecular replacement.
- Sub types
- Comparative Study
- research-article
- Journal Article
- Ausgabe der Zeitschrift
- 69
Files
http://journals.iucr.org/d/issues/2013/02/00/wd5185/wd5185.pdf https://www.ncbi.nlm.nih.gov/pmc/articles/pmid/23385464/pdf/?tool=EBI https://europepmc.org/articles/PMC3565441?pdf=render
Datenquelle: Europe PubMed Central
- Abstract
- Heavy-atom clusters (HA clusters) containing a large number of specifically arranged electron-dense scatterers are especially useful for experimental phase determination of large complex structures, weakly diffracting crystals or structures with large unit cells. Often, the determination of the exact orientation of the HA cluster and hence of the individual heavy-atom positions proves to be the critical step in successful phasing and subsequent structure solution. Here, it is demonstrated that molecular replacement (MR) with either anomalous or isomorphous differences is a useful strategy for the correct placement of HA cluster compounds. The polyoxometallate cluster hexasodium α-metatungstate (HMT) was applied in phasing the structure of death receptor 6. Even though the HA cluster is bound in alternate partially occupied orientations and is located at a special position, its correct localization and orientation could be determined at resolutions as low as 4.9 Å. The broad applicability of this approach was demonstrated for five different derivative crystals that included the compounds tantalum tetradecabromide and trisodium phosphotungstate in addition to HMT. The correct placement of the HA cluster depends on the length of the intramolecular vectors chosen for MR, such that both a larger cluster size and the optimal choice of the wavelength used for anomalous data collection strongly affect the outcome.
- Date of acceptance
- 2012
- Autoren
- Sven O Dahms
- Miriam Kuester
- Carsten Streb
- Christian Roth
- Norbert Sträter
- Manuel E Than
- Autoren-URL
- https://www.ncbi.nlm.nih.gov/pubmed/23385464
- DOI
- 10.1107/S0907444912046008
- eISSN
- 1399-0047
- Externe Identifier
- PubMed Central ID: PMC3565441
- Ausgabe der Veröffentlichung
- Pt 2
- Zeitschrift
- Acta Crystallogr D Biol Crystallogr
- Schlüsselwörter
- death receptor 6
- experimental phasing
- heavy-metal cluster
- hexasodium α-metatungstate
- molecular replacement
- Animals
- Crystallography, X-Ray
- Databases, Protein
- Electrons
- Humans
- Metals, Heavy
- Mice
- Models, Molecular
- Molecular Weight
- Muramidase
- Receptors, Tumor Necrosis Factor
- Scattering, Radiation
- Ubiquitin-Activating Enzymes
- Sprache
- eng
- Country
- United States
- Paginierung
- 284 - 297
- PII
- S0907444912046008
- Datum der Veröffentlichung
- 2013
- Status
- Published
- Datum, an dem der Datensatz öffentlich gemacht wurde
- 2013
- Titel
- Localization and orientation of heavy-atom cluster compounds in protein crystals using molecular replacement.
- Sub types
- Comparative Study
- Journal Article
- Ausgabe der Zeitschrift
- 69
Datenquelle: PubMed
- Beziehungen:
- Eigentum von