Figure 5
xMDFF refinement of the voltage-sensing protein Ci-VSP. (a) A MUFOLD-predicted homology model (cyan) was used as an initial phasing model in xMDFF; this model has an r.m.s.d. of 6 Å from an independently refined Ci-VSP structure (orange; Li et al., 2014). Ci-VSP includes a transmembrane (TM) domain and was crystallized with an antibody (Ab). Inset: the placement of the S4 helix within the TM region which determines the voltage-gating capabilities of the protein is of particular interest. (b) xMDFF refinement with 4 Å resolution diffraction data produced a final structure (red) 2.6 Å away from the independently refined Ci-VSP structure (orange). Inset: the placement of the S4 helix in the Down position and the alignment of the regularly placed voltage-sensing Arg residues is in agreement with the independently refined model (Li et al., 2014). |