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Figure 6
Hydrocarbon product in the extrapolated structure at 300 ns. (a, b, e, f) q-weighted extrapolated electron-density maps, [2mF_{\rm ext}^{\Delta t\_300\,{\rm ns}}]DFcalc (1 r.m.s.d., blue mesh) and [mF_{\rm ext}^{\Delta t\_300\,{\rm ns}}]DFcalc (+3 r.m.s.d., green), calculated with models of monomers A (a, b) and B (e, f) from which the substrate was omitted. (c, d, g, h) Extrapolated [2mF_{\rm ext}^{\Delta t\_300\,{\rm ns}}]DFcalc electron-density maps (1 r.m.s.d., blue mesh) calculated with models of monomers A (c, d) and B (g, h) without substrate but including a hydrocarbon product (HC; dark green). Dark-state and 300 ns intermediate-state models of monomer A (a, b, c, d) and monomer B (e, f, g, h) are overlaid in gray and cyan, respectively. The fatty-acid substrate (FA1) in the dark model is shown in lime green in (a)–(h)

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