. 2017 Apr 18;114(18):E3622–E3631. doi: 10.1073/pnas.1619806114

Table S1.

Parameters of the NR model

Parameter^*	Value	+ 1 SD^†	− 1 SD
SiO₂ thickness, Å	20.5	1.0	1.1
Cr thickness, Å	14.6	1.3	1.3
Gold thickness, Å	112.06	0.82	0.77
SiO₂ SLD, 10⁻⁶ Å⁻²	3.417	0.033	0.027
Cr SLD, 10⁻⁶ Å⁻²	2.58	0.10	0.13
Au SLD, 10⁻⁶ Å⁻²	4.612	0.005	0.006
Tether length, Å	4.53	0.54	1.77
Inner leaflet lipid length, Å	12.45	0.22	0.25
Outer leaflet lipid length, Å	13.42	0.25	0.29
Change in inner leaflet lipid length with protein, Å	−0.399	0.059	0.061
Change in outer leaflet lipid length with protein, Å	0.123	0.057	0.063
Fraction of exchangeable protons exchanged	0.939	0.040	0.027
No. fraction of tether molecules in inner leaflet	0.964	0.026	0.044
Ratio of β-mercaptoethanol to tether molecules	5.0	3.4	3.4
Fractional completeness of bare bilayer	1.000	0.000	0.000
Fractional completeness of bilayer with protein	0.994	0.002	0.002
Fractional completeness of overlayer	0.019	0.002	0.002
Overlayer leaflet thickness, Å	13.20	0.25	0.26
Distance of overlayer from bilayer, Å	21.7	1.2	1.3
No. of protein molecules per lipid	0.0029	0.0003	0.0003
Distance of protein from headgroups, Å	0.5	1.7	2.2
Euler angle α	See Fig. 6 ^‡
Euler angle β	See Fig. 6 ^‡
Fraction of protein bound in H₂O spectrum	1.32	0.18	0.14
Fraction of protein bound in CM4 spectrum^§	0.99	0.15	0.13
SLD of D₂O solvent, bare bilayer, 10⁻⁶ Å⁻²	6.319	0.009	0.010
SLD of H₂O solvent, bare bilayer, 10⁻⁶ Å⁻²	−0.481	0.023	0.027
SLD of CM4 solvent, bare bilayer, 10⁻⁶ Å⁻²	4.020	0.006	0.007
SLD of D₂O solvent, bilayer with protein, 10⁻⁶ Å⁻²	6.397	0.002	0.007
SLD of H₂O solvent, bilayer with protein, 10⁻⁶ Å⁻²	−0.224	0.034	0.026
SLD of CM4 solvent, bilayer with protein, 10⁻⁶ Å⁻²	4.083	0.007	0.008
Global roughness parameter, Å	3.59	0.14	0.12
Roughness of Cr/Au interface, Å	10.51	0.55	0.56
Roughness of bilayer, Å	2.017	0.031	0.012
Angle alignment correction, °	0.0092	0.0004	0.0004
Fractional beam intensity	1.005	0.003	0.004
Log₁₀ background, D₂O solvent, bare bilayer	−8.3	1.0	1.2
Log₁₀ background, H₂O solvent, bare bilayer	−8.63	0.95	0.94
Log₁₀ background, CM4 solvent, bare bilayer	−7.92	0.85	1.41
Log₁₀ background, D₂O solvent, bilayer with protein	−8.85	0.83	0.79
Log₁₀ background, H₂O solvent, bilayer with protein	−6.75	0.24	0.73
Log₁₀ background, CM4 solvent, bilayer with protein	−8.88	0.96	0.78

For clarity, parameters for the Catmull–Rom freeform spline are not shown.

^{^†}

SDs are calculated from the equilibrium solution to the MCMC optimization.

^{^‡}

The two Euler angles α and β are highly correlated and are not reported as a value with SEs.

^{^§}

CM4 denotes 2:1 D₂O:H₂O.