A Caltech Library Service

Assignment of Individual Metal Redox States in a Metalloprotein by Crystallographic Refinement at Multiple X-ray Wavelengths

Einsle, Oliver and Andrade, Susana L. A. and Dobbek, Holger and Meyer, Jacques and Rees, Douglas C. (2007) Assignment of Individual Metal Redox States in a Metalloprotein by Crystallographic Refinement at Multiple X-ray Wavelengths. Journal of the American Chemical Society, 129 (8). pp. 2210-2211. ISSN 0002-7863. PMCID PMC2527600. doi:10.1021/ja067562o.

[img] PDF - Accepted Version
See Usage Policy.

PDF - Supplemental Material
See Usage Policy.


Use this Persistent URL to link to this item:


A method is presented to derive anomalous scattering contributions for individual atoms within a protein crystal by collecting several sets of diffraction data at energies spread along an X-ray absorption edge of the element in question. The method has been applied to a [2Fe:2S] ferredoxin model system with localized charges in the reduced state of the iron−sulfur cluster. The analysis shows that upon reduction the electron resides at the iron atom closer to the protein surface. The technique should be sufficiently sensitive for more complex clusters with noninteger redox states and is generally applicable given that crystals are available.

Item Type:Article
Related URLs:
URLURL TypeDescription CentralArticle Information
Rees, Douglas C.0000-0003-4073-1185
Contact Email
Additional Information:© 2007 American Chemical Society Received October 23, 2006 Diffraction data were collected at SSRL, Stanford, and EMBL/DESY, Hamburg, Germany. This work was supported in part by EMBO YIP (O.E.), DFG (O.E., S.L.A.A.), CNRS and UJF (J.M.), and by NIH Grant GM45162 (D.C.R.).
Funding AgencyGrant Number
European Molecular Biology Organization (EMBO)UNSPECIFIED
Deutsche Forschungsgemeinschaft (DFG)UNSPECIFIED
Centre National de la Recherche Scientifique (CNRS)UNSPECIFIED
Issue or Number:8
PubMed Central ID:PMC2527600
Record Number:CaltechAUTHORS:20141212-144040144
Persistent URL:
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:52778
Deposited By: SWORD User
Deposited On:22 Dec 2014 21:16
Last Modified:10 Nov 2021 19:43

Repository Staff Only: item control page