A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers

A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers | Research Square window.SnipcartSettings = { analytics: { enabled: false } }; (function() { var accessVector = localStorage.getItem('access_vector') || ''; window.dataLayer = window.dataLayer || []; if (accessVector) { window.dataLayer.push({ user: { profile: { profileInfo: { snid: accessVector } } } }); } })(); (function(w,d,s,l,i){w[l]=w[l]||[];w[l].push({'gtm.start':new Date().getTime(),event:'gtm.js'});var f=d.getElementsByTagName(s)[0],j=d.createElement(s),dl=l!='dataLayer'?'&l='+l:'';j.async=true;j.src='https://www.googletagmanager.com/gtm.js?id='+i+dl;f.parentNode.insertBefore(j,f);})(window,document,'script','dataLayer','GTM-K279D39R'); Browse Preprints In Review Journals COVID-19 Preprints AJE Video Bytes Research Tools Research Promotion AJE Professional Editing AJE Rubriq About Preprint Platform In Review Editorial Policies Our Team Advisory Board Help Center Sign In Submit a Preprint Cite Share Download PDF Article A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers Maximilian Wranik, Michal Kepa, Emma Beale, Daniel James, Quentin Bertrand, and 25 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-2621995/v1 This work is licensed under a CC BY 4.0 License Status: Published Journal Publication published 02 Dec, 2023 Read the published version in Nature Communications → Version 1 posted You are reading this latest preprint version Abstract Serial crystallography at X-ray free-electron lasers (XFELs) permits the determination of radiation-damage free static as well as time-resolved protein structures at room temperature. Efficient sample delivery is a key factor for such experiments. Here, we describe a multi-reservoir, high viscosity extruder as a step towards automation of sample delivery at XFELs. Compared to a standard single extruder, sample exchange time was halved and the workload of users was greatly reduced. In-built temperature control of samples facilitated optimal extrusion and offered a path forward for the observation of temperature-dependent structural changes. After commissioning the device with lysozyme crystals, we collected time-resolved data using crystals of a membrane-bound, light-driven sodium pump. Static data were also collected from the soluble protein tubulin that was soaked with a series of small molecule drugs. Using these data, we identified low occupancy (as little as 30%) ligands using a minimal amount of data from a serial crystallography experiment, a result that could be exploited for structure-based drug design. Biological sciences/Structural biology/X-ray crystallography Biological sciences/Biological techniques/Structure determination/X-ray crystallography Biological sciences/Drug discovery/Drug screening Full Text Additional Declarations There is NO Competing Interest. Supplementary Files CrystallographicTable1.pdf Table 1 CrystallographicTable2.pdf Table 2 SupplementaryMaterialonSolQ2Br.pdf PDBvalidationreports.pdf SupplementaryTextFigures.pdf SupplementaryMovie1.mp4 Supplementary Movie 1 SupplementaryMovie2.mpg Supplementary Movie 2 Cite Share Download PDF Status: Published Journal Publication published 02 Dec, 2023 Read the published version in Nature Communications → Version 1 posted You are reading this latest preprint version Research Square lets you share your work early, gain feedback from the community, and start making changes to your manuscript prior to peer review in a journal. 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