Heftberger Peter, Kollmitzer Benjamin, Heberle Frederick A, Pan Jianjun, Rappolt Michael, Amenitsch Heinz, Kučerka Norbert, Katsaras John, Pabst Georg
Instiute of Molecular Biosciences, Biophysics Division, University of Graz, Austria.
Biology and Soft Matter Division, Oak Ridge National Laboratory, Oak Ridge, TN, USA.
J Appl Crystallogr. 2013 Dec 25;47(Pt 1):173-180. doi: 10.1107/S1600576713029798. eCollection 2014 Feb 1.
The highly successful scattering density profile (SDP) model, used to jointly analyze small-angle X-ray and neutron scattering data from unilamellar vesicles, has been adapted for use with data from fully hydrated, liquid crystalline multilamellar vesicles (MLVs). Using a genetic algorithm, this new method is capable of providing high-resolution structural information, as well as determining bilayer elastic bending fluctuations from standalone X-ray data. Structural parameters such as bilayer thickness and area per lipid were determined for a series of saturated and unsaturated lipids, as well as binary mixtures with cholesterol. The results are in good agreement with previously reported SDP data, which used both neutron and X-ray data. The inclusion of deuterated and non-deuterated MLV neutron data in the analysis improved the lipid backbone information but did not improve, within experimental error, the structural data regarding bilayer thickness and area per lipid.
高度成功的散射密度分布（SDP）模型曾用于联合分析来自单层囊泡的小角X射线和中子散射数据，现在已被改编用于处理来自完全水合的液晶多层囊泡（MLV）的数据。使用遗传算法，这种新方法能够提供高分辨率的结构信息，还能从独立的X射线数据中确定双层弹性弯曲波动。针对一系列饱和和不饱和脂质以及与胆固醇的二元混合物，确定了诸如双层厚度和每脂质面积等结构参数。结果与先前报道的同时使用中子和X射线数据的SDP数据高度吻合。在分析中纳入氘代和非氘代MLV中子数据改善了脂质主链信息，但在实验误差范围内，并未改善关于双层厚度和每脂质面积的结构数据。
