Subcellular Thiol Functional Group Distribution in Geobacter sulfurreducens Determined by Hg LIII-Edge EXAFS: Research Data

This dataset contains the research data underlying the article “Subcellular Thiol Functional Group Distribution in Geobacter sulfurreducens Determined by Hg LIII-Edge EXAFS,” published in Frontiers in Microbiology (https://doi.org/10.3389/fmicb.2025.1728775). The dataset comprises measurements of subcellular biomass, total organic carbon (TOC), total sulfur (TS), thiol groups (RSH), and spectroscopic data (EXAFS and XANES) collected to characterize subcellular compartments of G. sulfurreducens PCA (Caccavo et al., 1994), including extracellular, periplasmic, cytoplasmic, and membrane fractions. TOC and TS were quantified using an elemental analyzer (Vario MACRO cube) with a relative standard deviation (RSD) of 0.5%. Total mercury concentrations were determined by combustion atomic absorption spectrometry with a direct mercury analyzer (DMA-80, Milestone; detection limit = 0.01 ng; RSD = 6%). Sulfur K-edge XANES spectra were collected at the 4B7A Medium Energy X-ray Beamline of the Beijing Synchrotron Radiation Facility. Data processing, including normalization and linear combination fitting (LCF), was performed using the Larch software package. Hg LIII-edge EXAFS spectra were acquired at Diamond Light Source (Beamline I20-scanning). Data analysis and fitting were carried out using WinXAS in combination with FEFF-7. Further details are provided in the accompanying README.txt file.