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. Author manuscript; available in PMC: 2017 Dec 22.
Published in final edited form as: Faraday Discuss. 2016 Dec 22;195:171–189. doi: 10.1039/c6fd00122j

Figure 5.

Figure 5

Calculated KIE for SLO double mutant L546A/L754A as a function of the proton donor-acceptor equilibrium distance and associated frequency Ω. The curves are labeled according to R0 given in Å. In this model, the effective mass of the proton donor-acceptor mode is M = 100 amu, the reorganization energy is λ = 45.6 kcal/mol, and the reaction free energy is ΔG° = −5.4 kcal/mol. The shaded area of the plot corresponds to the experimental range of the observed KIE between 30 and 35°C