Table 1.

Slds at Different Contrasts, Electron Densities, and Molecular Volumes of Protein, Detergent Parts, and Solvent Used during the Ab Initio Runs for the AQ0/dDM System

Bead Phase	ρ(e−/Å3)	$sl{d}_{100{\text{\%D}}_2\text{O}}$ (10−6 A−2)	$sl{d}_{42{\text{\%D}}_2\text{O}}$ (10−6 A−2)	$sl{d}_{0{\text{\%D}}_2\text{O}}$ (10−6 A−2)	V (Å3)
dDM detergent heads	0.52	3.93	2.72	1.85	350
dDM detergent tails	0.28	−0.41	−0.41	−0.41	340
AQ0 protein	0.44	2.90	2.26	1.80	—
Solvent	0.33	6.40	2.36	−0.56	—

Molecular volume (V) and sld values for the detergents were taken from the work of Breyton et al. (31). Electron densities (ρ) were taken from the work of Oliver et al. (44). Note that owing to the H/D exchange occurring in solvents containing a certain ratio of D₂O (55), the sld of a protein is adjusted accordingly for each solvent contrast. The related calculations are performed using the contrast calculator of the program SASSIE (56).