We present a method for analyzing small angle x-ray scattering data on multilamellar phospholipid bilayer systems at full hydration. The method utilizes a modified Caillé theory structure factor in combination with a Gaussian model representation of the electron density profile such that it accounts also for the diffuse scattering between Bragg peaks. Thus the method can retrieve structural information even if only a few orders of diffraction are observed. We further introduce a procedure to derive fundamental parameters, such as area per lipid, membrane thickness, and number of water molecules per lipid, directly from the electron density profile without the need of additional volumetric measurements. The theoretical apparatus is applied to experimental data on 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, and 1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine liposome preparations.

Monolayer spontaneous curvatures for cholesterol, DOPE, POPE, DOPC, DPPC, DSPC, POPC, SOPC, and egg sphingomyelin were obtained using small-angle X-ray scattering (SAXS) on inverted hexagonal phases (H_II). Spontaneous curvatures of bilayer forming lipids were estimated by adding controlled amounts to a H_II forming template following previously established protocols. Spontaneous curvatures of both phosphatidylethanolamines and cholesterol were found to be at least a factor of two more negative than those of phosphatidylcholines, whose J₀ values are closer to zero. Interestingly, a significant positive J₀ value was retrieved for DPPC. We further determined the temperature dependence of the spontaneous curvatures J₀(T) in the range from 15 to 55 °C, resulting in a quite narrow distribution of −1 to −3 × 10⁻³ (nm °C)⁻¹ for most investigated lipids. The data allowed us to estimate the monolayer spontaneous curvatures of ternary lipid mixtures showing liquid ordered/liquid disordered phase coexistence. We report spontaneous curvature phase diagrams for DSPC/DOPC/Chol, DPPC/DOPC/Chol and SM/POPC/Chol and discuss effects on protein insertion and line tension.

We studied the influence of sodium and calcium chloride on the global and local membrane properties of fluid palmitoyl-oleoyl phosphatidylcholine bilayers, applying synchrotron small-angle x-ray diffraction, spin-labeling electron paramagnetic resonance spectroscopy, and differential scanning calorimetry, as well as simultaneous density and acoustic measurements. The salt concentration was varied over a wide range from 0 to 5 M. We found that NaCl leads to a continuous swelling of the bilayers, whereas the behavior of the bilayer separation dW in the presence of CaCl2 is more complex, showing an initial large dW value, which decreased upon further addition of salt and finally increased again in the high concentration regime. This can be understood by a change of balance between electrostatic and van der Waals interactions. We were further able to show that both salts lead to a significant increase of order within the lipid bilayer, leading to a decrease of bilayer elasticity and shift of main phase transition temperature. This effect is more pronounced for Ca2+, and occurs mainly in the high salt-concentration regime. Thus, we were able to reconcile previous controversies between molecular dynamics simulations and x-ray diffraction experiments regarding the effect of salts on neutral lipid bilayers.