. 2021 Oct 30;120(23):5295–5308. doi: 10.1016/j.bpj.2021.10.033

Table 1.

Structural parameters obtained by fitting PNR data of hBamA^(L7H9)BCDE/POPC membrane tethered to an Si-Py-Au-DTSP-ANTA-Cu²⁺ substrate

Layer	Thickness (Å)	Net SLD (× 10⁻⁶ Å⁻²)		Component volume fractions (%)		Roughness (Å)
Si	ND	2.07^a		Si:	100^a	${9.6}_{- 0.6}^{+ 0.3}$
SiO₂	${22.2}_{- 0.5}^{+ 0.6}$	${4.41}_{- 0.12}^{+ 0.08}$		SiO₂:	100^a	${4.1}_{- 0.5}^{+ 0.5}$
Permalloy	${114.3}_{- 0.2}^{+ 0.3}$	↑:	${9.89}_{- 0.01}^{+ 0.01}$	Permalloy:	100^a	${8.3}_{- 0.3}^{+ 0.3}$
Permalloy	${114.3}_{- 0.2}^{+ 0.3}$	↓:	${7.22}_{- 0.01}^{+ 0.01}$	Permalloy:	100^a	${8.3}_{- 0.3}^{+ 0.3}$
Gold	${182.7}_{- 0.3}^{+ 0.4}$	4.62^a		Gold:	100^a	${5.9}_{- 0.1}^{+ 0.1}$
DTSP-ANTA-Cu²⁺ SAM	${9.8}_{- 1.4}^{+ 1.3}$	1.80^a		DTSP-ANTA-Cu²⁺:	$56_{- 6}^{+ 8}$ ^b	${4.6}_{- 2.0}^{+ 1.7}$
DTSP-ANTA-Cu²⁺ SAM	${9.8}_{- 1.4}^{+ 1.3}$	1.80^a		Solvent:	$44_{- 8}^{+ 6}$	${4.6}_{- 2.0}^{+ 1.7}$
hBamA^(L7H9)BCDE (between SAM and membrane)	${31.2}_{- 1.6}^{+ 1.6}$	D₂O:	${3.08}_{- 2.93 E - 3}^{+ 2.17 E - 3}$ ^b	hBamA^(L7H9)BCDE:	$28_{- 1}^{+ 1}$ ^b	${9.8}_{- 0.3}^{+ 0.2}$
		AuMW:	${2.78}_{- 0.58 E - 3}^{+ 0.43 E - 3}$ ^b	hBamA^(L7H9)BCDE:	$28_{- 1}^{+ 1}$ ^b
		PrMW:	${2.45}_{- 0.01}^{+ 0.01}$ ^b	Solvent:	$72_{- 1}^{+ 1}$
		H₂O:	${2.05}_{- 0.02}^{+ 0.05}$ ^b	Solvent:	$72_{- 1}^{+ 1}$
hBamA^(L7H9)BCDE + β-OG	${40.6}_{- 1.7}^{+ 1.6}$	D₂O:	${3.07}_{- 0.02}^{+ 0.01}$ ^b	β-OG:	${0.2}_{- 0.2}^{+ 0.3}$	${9.8}_{- 0.3}^{+ 0.2}$
				hBamA^(L7H9)BCDE:	$29_{- 1}^{+ 1}$ ^b
				Solvent:	$71_{- 1}^{+ 1}$ ^b
hBamA^(L7H9)BCDE + POPC bilayer	${40.6}_{- 1.7}^{+ 1.6}$	D₂O:	${1.74}_{- 0.04}^{+ 0.04}$ ^b	POPC:	$26_{- 1}^{+ 1}$ ^b	${9.8}_{- 0.3}^{+ 0.2}$
		AuMW:	${1.58}_{- 0.03}^{+ 0.04}$ ^b	hBamA^(L7H9)BCDE:	$29_{- 1}^{+ 1}$ ^b
		PrMW:	${1.41}_{- 0.03}^{+ 0.03}$ ^b	Solvent:	$45_{- 1}^{+ 1}$
		H₂O:	${1.20}_{- 0.03}^{+ 0.03}$ ^b	Solvent:	$45_{- 1}^{+ 1}$
hBamA^(L7H9)BCDE (adjacent to bulk solvent)	${84.4}_{- 8.0}^{+ 7.1}$	D₂O:	${3.08}_{- 2.93 E - 3}^{+ 2.17 E - 3}$ ^b	hBamA^(L7H9)BCDE:	$7_{- 1}^{+ 1}$ ^b	${9.8}_{- 0.3}^{+ 0.2}$
		AuMW:	${2.78}_{- 0.58 E - 3}^{+ 0.43 E - 3}$ ^b	Solvent:	$93_{- 1}^{+ 1}$
		PrMW:	${2.45}_{- 0.01}^{+ 0.01}$ ^b
		H₂O:	${2.05}_{- 0.02}^{+ 0.02}$ ^b
Bulk solvent	ND	D₂O:	${6.39}_{- 0.02}^{+ 0.01}$	Solvent:	100^a	ND
		AuMW:	${4.70}_{- 3.25 E - 3}^{+ 2.39 E - 3}$
		PrMW:	${2.84}_{- 0.06}^{+ 0.06}$
		H₂O:	${0.62}_{- 0.09}^{+ 0.10}$

Error values indicate the 95% confidence intervals estimated from MCMC resampling.

ND, not determinable.

Values were held constant throughout the fitting procedure.

Values were not directly fit, but calculated from the fitted parameters and associated 95% confidence intervals calculated from MCMC chains of the dependent fitted parameters.