Models:
The structure of monomer, dimer or trimer in solution are not known. They are approximated here by taking 1, 2, or 3 protomers from the trimeric crystal structure (6MHH)


Analysis:
Scattering profiles for the monomer, dimer, and trimer were calculated from the models described above using CRYSOL. CRYSOL intensities were normalised by a factor of re^2 (cm^2 e^-2)  NA (mol^-1)  10^-3 (L cm^-3) = 4.78181  10^-5 (c^m-1 e^2 mol^-1 L) such that when they are multiplied by a molar concentration, they are directly comparable to scattering data on an absolute scale. Fitting was performed in Excel using the "Solver" package (Note that in the Excel document, there is an additional factor of 10^-6, so that all concentrations have units of uM). A linear combination of each of these curves was fit to the scattering data, but the relative concentrations of monomer, dimer and trimer were constrained by a set of global equilibrium constants. For this analysis, 2 equilibrium constants were fit:

1) Kdimer:  2Monomer <-> Dimer
2) Ktrimer: Monomer + Dimer <-> Trimer


Files/Directory description:

Models-Crysol		-	PDB files for the monomer, dimer and trimer
			-	Intesnity (.int) and log (.log) files from CRYSOL

PmScsCDL_XpXmg		-	Experimental scattering data (.dat) files for PmScsCDL at each nominal concentration
			-	GNOM output files (.out) for each PmScsCDL dataset
			-	Fit files (.fit) for the modelling

EquilibriumAnalysis	-	 Excel document in which the fitting was performed
