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Figure 1
Comparison of PDDF (first and third rows) and XS (second and fourth rows) profiles obtained through different theoretical methods, for molecules of <1 kDa to ∼0.5 MDa. PDB codes of these molecules are listed in Table 1[link]. In PDDF figures (e), (g), (i) and (k), the long vertical magenta line marks the true Dmax, while the short line marks the position of the P(r) value at ∼0.1% of the peak maximum. The distances between the two marks are 3–7 Å. In (k) and (l), only the DH-PDDF, PC-PDDF, DH-XS and PC-XS profiles are provided because DD-PDDF and DD-XS profiles with sufficient data points will take too long for the ∼0.5 MDa apo-ferritin. The magenta curves in (b), (d), (f), (h) and (j) are percentage difference (right y axis) between the DH-XS and DD-XS curves, and diff = (DH-XS/DD-XS − 1)100%. In all cases, diff < 0.3% within q ≤ 0.30 Å−1. The dashed line is the zero line.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 57| Part 5| October 2024| Pages 1446-1455
https://doi.org/10.1107/S1600576724007222
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