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. 2014 Mar 19;9(3):e91760. doi: 10.1371/journal.pone.0091760

Table 2. SAXS Parameters for Data Validation and Interpretation.

SAXS parameters Comments
q-range (Å−1) 0.01–0.33
I(0) 8e2±5.4e0 Intensity at q = 0
Rg (Å) 30.07±0.89 Rg value was obtained after extrapolationto infinite dilution; single values werecalculated from Guinier fit using a q*Rg <1.6
Rg (Å) real 31.53±0.08 Rg values were calculated from the P(r)function by the program SCATTER [30].
V (Å3) 1.47e5 Volume was determined based on [54]
Mw SAXS 6.14e4±0e0 Mw was estimated from the Volumebased on [54]
Dmax (Å) 100 Maximal dimension was determined fromP(r) function
P 3.8 Porod Exponent
Structure Modeling
Quality of Fit (χ) -singlebest model 3.86 Scattering profiles up to qmax. 0.33 Å−1 andfit for the atomic models were calculated bythe program FoXS [32]
Quality of Fit (χ) -MES 3.66 Minimal Ensemble fit was obtained by MES [33]
Quality of Fit (χ) -singlebest unconstrained model 8.05 Scattering profiles up to qmax. 0.33 Å−1 andfit for the unconstrained atomic models werecalculated by the program FoXS [32]
SAXS shape (NSD) 0.79±0.07 The values given are the average and standarderror from ten runs of the DAMMIF [31]