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In this study, ectoine is produced by Streptomyces. sp IBRC-M PTCC 10615. Fermentation parameters such as flow regime, gas hold up, mass transfer coefficient, and mixing time were optimized by statistical analysis. Streptomyces. sp produced a maximal ectoine concentration of 270 mmol/kg at optimal conditions of ectoine and L-aspartic acid. Also, the amount of mass transfer, gas hold up, and mixing time were determined 0,41/s ,0.3, and 40 s, respectively. The amount of ectoine was measured by HPLC. Furthermore, Molecular Dynamics (MD) simulation was used for studying the solubility of ectoine in aqueous media. Equilibrium data such as temperature, potential energy, and volume graphs showed that the solubility of ectoine is 25%more than glycerol. Also, all the achieving graphs from the equilibrium of simulation were confirmed the appropriate structure of the system.