Alignment of (PA63)7–(LF)3 complexes. (A–C) The volume obtained after initial refinement is shown in three orientations. The densities corresponding to 1LF (C) are double as highlighted with the arrows. An atomic model was generated by rigid-body docking of LF (1JKY; Pannifer et al., 2001) and (PA63)7 (Lacy et al., 2004) into this volume and used as reference (D and E) after low pass filtering at 30 Å to ensure correct alignment of the large gap between 1LF and 3LF. Classification was performed without realigning the particles. The red arrows highlight the position of LF with respect to (PA63)7. ∼70% of the particles were found to be oriented as shown in F, whereas ∼30% were oriented as in G. The orientations of volumes shown in F and G are compared with H in the top view orientation. The yellow and cyan ovals indicate overlapping densities corresponding to LF.
