. Author manuscript; available in PMC: 2021 May 27.

Published in final edited form as: J Phys Chem B. 2020 Jan 22;124(5):828–839. doi: 10.1021/acs.jpcb.9b08850

Table 2.

Thicknesses (Å) of POPC/PLAPE and POPC/POPE Mixtures with POPC/PE Molar Ratios^a

		Thicknesses (Å)
		D_HH	D_B	2D_C
POPC/POPE (Exp)	1:0	36 ± 0.5	37.2 ± 0.5	27.4 ± 0.5
	2:1	40 ± 0.5	38.0 ± 0.5	28.6 ± 0.5
	1:1	41 ± 0.5	38.4 ± 0.5	29.3 ± 0.5
	1:2	41 ± 0.5	39.0 ± 0.5	30.0 ± 0.5
POPC/POPE (MD)	1:0	38.2 ± 0.1	37.3 ± 0.1	28.0 ± 0.1
	2:1	40.3 ± 0.1	39.8 ± 0.2	29.7 ± 0.1
	1:1	41.0 ± 0.1	40.4 ± 0.2	30.5 ± 0.1
	1:2	41.5 ± 0.2	40.9 ± 0.2	31.0 ± 0.2
POPC/PLAPE (MD)	2:1	39.2 ± 0.1	37.7 ± 0.1	29.4 ± 0.1
	1:1	39.9 ± 0.1	38.1 ± 0.2	30.2 ± 0.1
	1:2	40.3 ± 0.1	38.7 ± 0.2	31.0 ± 0.1

D_HH is the head-to-head distance, D_B is the overall bilayer thickness, and 2D_C is the hydrophobic thickness. The experimental estimates are based on XDS reconstruction with the SDP model. MD simulations for POPC alone are obtained from previous work at 40 °C⁷⁹.