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On Thursday 11 January 2007 13:51, you wrote: > > 1) is it even possible to observe any arbitrary, completely, truly > disordered molecule (besides bulk solvent - vide infra) in the crystalline > state with x-ray diffraction? I do not truly understand what you are trying to ask, but I point out that an entire session of the 2006 ACA meeting last summer was devoted to crystal structures with "whole molecule disorder". Is that what you had in mind? The abstracts are probably still on-line. > i.e. can anyone cite a published crystal structure of totally disordered > small molecules, or even intrinsically disordered proteins observed in the > crystalline environment? (given that it can form _any_ lattice to begin > with). > > 2) if so, what says the x, y, z, B, occupancy assumptions - that atoms are > sufficiently ordered to begin with, if i understand - are even close to > describing such a distribution? i.e. how would we know disordered > molecules when we see them (or not)? > > 3) if a correction could be made, wouldn't such a correction be at least > correlated with a bulk solvent correction, anisotropic scaling, or other > treatments for diffuse scatter? > > -bryan > -- Ethan A Merritt Biomolecular Structure Center University of Washington, Seattle 98195-7742
