Structure of gel phase DPPC determined by X-ray diffraction.

High resolution low angle x-ray data are reported for the gel phase of DPPC lipid bilayers, extending the previous q range of 1.0 Å to 1.3 Å, and employing a new technique to obtain more accurate intensities and form factors |F(q)| for the highest orders of diffraction. Combined with previous wide angle x-ray and volumetric data, a space filling model is employed to obtain gel phase structure at a mesoscopic level. This analysis provides direct evidence that the hydrocarbon chains from opposing monolayers are mini-interdigitated, consistent with the previously well-established result that the opposing monolayers are strongly coupled with respect to their chain tilt directions. Even more detailed structural features are described that have not been obtained from experiment but that could, in principle, be obtained from simulations that would first be validated by agreement with the wide angle and the new low angle |F(q)| x-ray data.