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Figure 8
Attempts to model various molecules next to Cys432 at 300 ns. 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; −3 r.m.s.d., red), calculated between the dark and light data sets at 300 ns and phased with a model without (ae) and with (b, f) the hydrocarbon molecule (HC), but without any additional molecule next to Cys432, with a CO2 and water molecule both at 100% occupancy (c, g) or with an [{\rm HCO}_{3}^{-}] molecule at 100% occupancy (d, h). The corresponding models of monomers A (a, b, c, d) and B (e, f, g, h) are shown. [mF_{\rm ext}^{\Delta t\_300\,{\rm ns}}]DFcalc omit maps for Wat1 are shown in (b) and (f).

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ISSN: 2059-7983
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