Hi I am refining a structure of protein, 2 molecules in the asymmetric unit. I like to know whether it is possible to crystallize two different conformations of a molecule in the same crystal.When I am trying to fit n-octyl-beta-D-glucopyranoside into the density, I see sugar part of the ligand takesBOAT conformation in A molecule of asymmetric unit (A.U.) and CHAIR conformation in B molecule.Is it normal, because I thought only one conformation of a molecule is favoured in the crystallization?When I refine in Shelx, should I use two sets of description of DFIX and DANG restraints for two different molecules of A.U. ? If refinement is done by refmac5 or CNS, how does it distinguish two different conformation between boat and chair form of sugar ?I appreciate any suggestions, comments.Sam _________________________________________________________________ Don't get caught with egg on your face. Play Chicktionary! http://club.live.com/chicktionary.aspx?icid=chick_wlmailtextlink
