Wj. Stroud et Rp. Millane, ANALYSIS OF DISORDER IN BIOPOLYMER FIBERS, Acta crystallographica. Section A, Foundations of crystallography, 51, 1995, pp. 790-800
X-ray diffraction patterns from oriented polycrystalline fibers of som
e biopolymers show that the molecules are disordered within the microc
rystallites. Quantifying the disorder in such specimens is a necessary
step for the use of their diffraction patterns for accurate structure
determination. Theory and algorithms for calculating diffraction patt
erns from such fibers have recently been described [Stroud & Millane (
1995). Acta Cryst. A51, 000-000]. Here the application of these method
s to determining the kind and degree of disorder in two polynucleotide
fibers is described. The more ordered system shows random screw disor
der accompanied by small lattice distortions, and the more disordered
system shows larger lattice distortions and significant rotational dis
order. These results show the potential of these methods for determini
ng disorder in polycrystalline fibers; uniqueness of the solutions and
implications for structure determination are discussed.