Derivation of the small-angle scattering profile of a target biomacromolecule from a profile deteriorated by aggregates. AUC–SAS

Morishima, K.; Inoue, R.; Sugiyama, M.

doi:10.1107/S1600576723002406

Figure 1
First AUC–SAS for the BSA solutions with various weight fractions of aggregates. (a)–(c) Filled blue, green and purple circles show i₁(q) [= I₁(q)/c₁] which is derived by the first AUC–SAS for the BSA solutions with r_a = 0.06 (BSA6), 0.13 (BSA13) and 0.20 (BSA20), respectively. Open black circles show the experimental SAXS data i(q) [= I(q)/c]. Black lines represent i₁(q)_Xtal calculated from the crystal structure of BSA monomer (PDB code 4f5s). Arrows indicate the connection points q_c between i_1L(q) and i_1H(q). Insets show the enlarged pictures in the range 1.2 ≤ qR_g1 ≤ 2.0. (d) Filled blue, green and purple circles show the residuals Δi₁(q)/σ(q) for BSA6, BSA13 and BSA20, respectively. Here, Δi₁(q) = i₁(q) − i₁(q)_Xtal and σ(q) denotes the error of i₁(q). (e)–(g) Open blue, green and purple circles show i_1H(q) [= I_1H(q)/c₁] given by equation (3)

for BSA6, BSA13 and BSA20, respectively. The black line in each panel represents i₁(q)_Xtal calculated from the crystal structure of the BSA monomer. (h) Open blue, green and purple circles denote the residuals Δi_1H(q)/σ(q) for BSA6, BSA13 and BSA20, respectively. Here, Δi_1H(q) = i_1H(q) − i₁(q)_Xtal and σ(q) is the error of i_1H(q). The broken line denotes the upper limit of the Guinier approximation range (qR_g1 = 1.3).

JOURNAL OF
APPLIED
CRYSTALLOGRAPHY

ISSN: 1600-5767

Volume 56| Part 3| June 2023| Pages 624-632

https://doi.org/10.1107/S1600576723002406

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