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If you use this data, please cite: Chen, X. et al. Potent, multi-target serine protease inhibition achieved by a simplified β-sheet motif. PLoS One 14, e0210842 (2019). https://dx.doi.org/10.1371/journal.pone.0210842 Processed data available at PDB:6bvh. Crystallisation & diffraction experiment details below: --- Crystallisation: - Protein solution: 20 mg/mL bovine trypsin, 50 mM MES pH 6.0, 50 mM benzamidine, 1mM CaCl2 - Reservoir buffer: 2.3 M (NH4)2SO4 and 0.1M MES pH 6.0 Sitting drops: 4 μL protein solution & 4 μL reservoir buffer, at room temperature Crystal soaking: - Inhibitor exchange buffer: 0.1 M MES, pH 6.0, 2.5 M (NH4)2SO4, 1 mM CaCl2 - Process: 6 hours in inhibitor exchange buffer, 48 hours in fresh inhibitor exchange buffer + saturating SFTI-TCTR(N12,N14) cyclopeptide rinse 3 times in 10 μL fresh inhibitor exchange buffer Cryoprotectant: - 0.1 M MES, pH 6.0, 2.5 M (NH4)2SO4, 1 mM CaCl2, 20 v/v% glycerol - Flash frozen in LN2 Irradiation source: ELLIOTT GX-13 Cu Kα rotating anode, λ=1.542 Å, 45 kV, 30 mA Cryocooling: 100 K N2 vapour stream Capture source: RIGAKU RAXIS IV++ Image Plate, Monash University

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Blake Riley
Ashley Buckle
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TAR SFTP

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