Subcellular Thiol Functional Group Distribution in Geobacter sulfurreducens Determined by Hg LIII-Edge EXAFS: Research Data Subcellular Thiol Functional Group Distribution in Geobacter sulfurreducens Determined by Hg LIII-Edge EXAFS: Research Data 2025-242-2 SLU.seksko.2025.4.2-76 https://doi.org/10.5878/r92f-7869 Swedish National Data Service Svensk nationell datatjänst Landing page Subcellular Thiol Functional Group Distribution in Geobacter sulfurreducens Determined by Hg LIII-Edge EXAFS: Research Data Subcellular Thiol Functional Group Distribution in Geobacter sulfurreducens Determined by Hg LIII-Edge EXAFS: Research Data 2025-242-2 SLU.seksko.2025.4.2-76 https://doi.org/10.5878/r92f-7869 10.3389/fmicb.2025.1728775 Song, Yu Song, Yu 2021-00551_Formas 2021-00551_Formas Swedish National Data Service Svensk nationell datatjänst Landing page Coordinate reference systems Referenskoordinatsystem bacteria organic compounds mercury thiols 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. Detta dataset innehåller de forskningsdata som ligger till grund för artikeln ”Subcellular Thiol Functional Group Distribution in Geobacter sulfurreducens Determined by Hg LIII-Edge EXAFS”, publicerad i Frontiers in Microbiology (https://doi.org/10.3389/fmicb.2025.1728775). Datasetet omfattar mätningar av subcellulär biomassa, totalt organiskt kol (TOC), totalt svavel (TS), tiolgrupper (RSH) samt spektroskopiska data (EXAFS och XANES) insamlade för att karakterisera subcellulära fraktioner av G. sulfurreducens PCA (Caccavo et al., 1994), inklusive extracellulära, periplasmiska, cytoplasmatiska och membranfraktioner. TOC och TS kvantifierades med en elementaranalysator (Vario MACRO cube) med en relativ standardavvikelse (RSD) på 0,5 %. Totala kvicksilverkoncentrationer bestämdes med förbränningsatomabsorptionsspektrometri med en direktkvicksilveranalysator (DMA-80, Milestone; detektionsgräns = 0,01 ng; RSD = 6 %). Svavel K-kant XANES-spektra samlades in vid 4B7A Medium Energy X-ray Beamline vid Beijing Synchrotron Radiation Facility. Databearbetning, inklusive normalisering och linjärkombinationsanpassning (LCF), utfördes med Larch-programvaran. Hg LIII-kant EXAFS-spektra erhölls vid Diamond Light Source (Beamline I20-scanning). Dataanalys och anpassning utfördes med WinXAS i kombination med FEFF-7. Ytterligare detaljer finns i den medföljande filen README.txt. 2022-05-01 2025-04-30 2022-06-01 2024-10-31 2022-06-01 2024-12-31 Numeric Text 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.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. Hg LIII-kantens EXAFS-spektra togs vid Diamond Light Source (strållinje I20, scanner). Dataanalys och anpassning utfördes med hjälp av WinXAS tillsammans med FEFF-7.Hg LIII-kantens EXAFS-spektra togs vid Diamond Light Source (strållinje I20, scanner). Dataanalys och anpassning utfördes med hjälp av WinXAS tillsammans med FEFF-7. Laboratory experimentLaboratory experiment LaboratorieexperimentLaboratorieexperiment Total organic carbon and total sulfur content 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%).Total organic carbon and total sulfur content 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%). Totalt organiskt kol och total svavelhalt kvantifierades med en elementaranalysator (Vario MACRO cube) med en relativ standardavvikelse (RSD) på 0,5%. Totalhalter av kvicksilver bestämdes genom förbränningsatomabsorptionsspektrometri med en direktkvicksilveranalysator (DMA-80, Milestone; detektionsgräns = 0,01 ng; RSD = 6%).Totalt organiskt kol och total svavelhalt kvantifierades med en elementaranalysator (Vario MACRO cube) med en relativ standardavvikelse (RSD) på 0,5%. Totalhalter av kvicksilver bestämdes genom förbränningsatomabsorptionsspektrometri med en direktkvicksilveranalysator (DMA-80, Milestone; detektionsgräns = 0,01 ng; RSD = 6%). Laboratory experimentLaboratory experiment LaboratorieexperimentLaboratorieexperiment 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, was performed using the Larch software package.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, was performed using the Larch software package. Svavel K-kant XANES-spektra samlades in vid 4B7A Medium Energy X-ray Beamline vid Beijing Synchrotron Radiation Facility. Databehandling, inklusive normalisering och linjärkombinationsanpassning, utfördes med hjälp av Larch-programvarupaketet.Svavel K-kant XANES-spektra samlades in vid 4B7A Medium Energy X-ray Beamline vid Beijing Synchrotron Radiation Facility. Databehandling, inklusive normalisering och linjärkombinationsanpassning, utfördes med hjälp av Larch-programvarupaketet. Laboratory experimentLaboratory experiment LaboratorieexperimentLaboratorieexperiment Access to data through SND. Data are freely accessible. Åtkomst till data via SND. Data är fritt tillgängliga. openAccess Meng F., Skyllberg U., Li Y., Hayama S., Björn E. and Song Y. (2026). Subcellular thiol functional group distribution in Geobacter sulfurreducens determined by Hg LIII-edge EXAFS. Frontiers in Microbiology, 16, 1728775. https://doi.org/10.3389/fmicb.2025.1728775 Meng F., Skyllberg U., Li Y., Hayama S., Björn E. and Song Y. (2026). Subcellular thiol functional group distribution in Geobacter sulfurreducens determined by Hg LIII-edge EXAFS. Frontiers in Microbiology, 16, 1728775. https://doi.org/10.3389/fmicb.2025.1728775 10.3389/fmicb.2025.1728775 2026