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Protocol for structure determination of SARS-CoV-2 main protease at near-physiological-temperature by serial femtosecond crystallography

Fatma Betül Ertem, Ömür Güven, Cengizhan Büyükdağ, Oktay Göcenler, Esra Ayan, Büşra Yüksel, Mehmet Gül, Gozde Usta, Barış Çakilkaya, J Austin Johnson, E. Han Dao, Zhen Su, Frédéric Poitevin, Chun Hong Yoon, Christopher Kupitz, Brandon Hayes, Mengning Liang, Mark S. Hunter, A. Batyuk, Raymond G. Sierra, Gihan Ketawala, Sabine Botha, Çağdaş Dağ, Hasan DeMi̇rci̇

2022STAR Protocols23 citationsDOIOpen Access PDF

Abstract

The SARS-CoV-2 main protease of (Mpro) is an important target for SARS-CoV-2 related drug repurposing and development studies. Here, we describe the steps for structural characterization of SARS-CoV-2 Mpro, starting from plasmid preparation and protein purification. We detail the steps for crystallization using the sitting drop, microbatch (under oil) approach. Finally, we cover data collection and structure determination using serial femtosecond crystallography. For complete details on the use and execution of this protocol, please refer to Durdagi et al. (2021).

Topics & Concepts

FemtosecondProteaseSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Coronavirus disease 2019 (COVID-19)Computer scienceComputational biologyCrystallographyChemistryPhysicsBiologyMedicineOpticsBiochemistryEnzymeLaserInfectious disease (medical specialty)DiseasePathologyComputational Drug Discovery MethodsEnzyme Structure and FunctionProtein Structure and Dynamics
Protocol for structure determination of SARS-CoV-2 main protease at near-physiological-temperature by serial femtosecond crystallography | Litcius