Figure 4
Multi-crystal data collection and structure solution from crystals of thaumatin. (a) Heat map after initial mesh scan of the sample holder. (b) Dendrogram based on HCA of CCI(i, j) values produced by XSCALE. (c) Wilson plot from the final data set derived using BEST. (d) A ribbon diagram of the refined crystal structure of thaumatin produced (tartrate molecule in stick representation). (e) Detail of the final 2mFobs − DFcalc, αcalc electron-density map (contoured at 1.5 × r.m.s.), with the refined structure shown in ball-and-stick representation. (f) Difference density (mFobs − DFcalc, αcalc) for a tartrate molecule after structure refinement (OMIT map). The difference density is shown at a contour level of 3 × r.m.s. |