Figure 7
Comparison of experimental data and models for errors in SAXS data. (a) Intensity versus q and (b) Kratky representation [qI(q) versus q] of scattering profiles for cytochrome c. Experimental data (Lipfert et al., 2006 ) for 8 mg ml−1 cytochrome c in 100 mM acetate buffer (pH 4.6) with 0.5 M guanidinium hydrochloride added recorded at beamline 12ID at the Advanced Photon Source, Argonne, IL, USA are shown in blue. Simulated scattering profiles were computed using CRYSOL (Svergun et al., 1995 ) (green, magenta and cyan profiles) or FoXS (Schneidman-Duhovny et al., 2010 ) (red profile) from the crystal structure (Sanishvili et al., 1995 ) of cytochrome c (PDB accession code 1crc). Simulated noise was added to the computed profiles using (i) the procedure described in §3.7 of this work (green); (ii) the errors from the FoXS webserver (red); (iii) the error model of Stovgaard et al. (2010 ), σ(q) = I(q)(q + α)β with the constants adjusted to α = 0.15 and β = 0.2 (magenta); and (iv) Gaussian noise with a constant variance set at σ = 0.5%I(0) (cyan). |