7PPT

Structure of diFe-Sulerythrin at 0.26 MGy total absorbed dose

Summary for 7PPT

• Entry DOI: 10.2210/pdb7ppt/pdb
• Descriptor: Sulerythrin, CHLORIDE ION, FE (III) ION, ... (6 entities in total)
• Functional Keywords: radiation damage, spatially resolved anomalous dispersion refinement, redox reaction, electron transport
• Biological source: Sulfurisphaera tokodaii str. 7
• Total number of polymer chains: 2
• Total formula weight: 32788.75

Authors

Lennartz, F.,Weiss, M.S. (deposition date: 2021-09-15, release date: 2022-06-08, Last modification date: 2024-01-31)

Primary citation

Lennartz, F.,Jeoung, J.H.,Ruenger, S.,Dobbek, H.,Weiss, M.S.
Determining the oxidation state of elements by X-ray crystallography.
Acta Crystallogr D Struct Biol, 78:238-247, 2022

PubMed Abstract: Protein-mediated redox reactions play a critical role in many biological processes and often occur at centres that contain metal ions as cofactors. In order to understand the exact mechanisms behind these reactions it is important to not only characterize the three-dimensional structures of these proteins and their cofactors, but also to identify the oxidation states of the cofactors involved and to correlate this knowledge with structural information. The only suitable approach for this based on crystallographic measurements is spatially resolved anomalous dispersion (SpReAD) refinement, a method that has been used previously to determine the redox states of metals in iron-sulfur cluster-containing proteins. In this article, the feasibility of this approach for small, non-iron-sulfur redox centres is demonstrated by employing SpReAD analysis to characterize Sulfolobus tokodaii sulerythrin, a ruberythrin-like protein that contains a binuclear metal centre. Differences in oxidation states between the individual iron ions of the binuclear metal centre are revealed in sulerythrin crystals treated with HO. Furthermore, data collection at high X-ray doses leads to photoreduction of this metal centre, showing that careful control of the total absorbed dose is a prerequisite for successfully determining the oxidation state through SpReAD analysis.

PubMed: 35102889
DOI: 10.1107/S2059798321013048

Experimental method

X-RAY DIFFRACTION (1.42 Å)