Integrated analysis with iCM-SANS, SAXS and MD simulations for dynamics of multi-domain proteins

Okuda, A.; Inoue, R.; Kurokawa, M.; Martel, A.; Porcar, L.; Osaki, R.; Fukuzawa, K.; Weiss, K.L.; Pingali, S.V.; Urade, R.; Sugiyama, M.

doi:10.1107/S1600576726005832

Journal of Applied Crystallography Journal of Applied
Crystallography

IUCr IT WDC

home archive editors for authors for readers submit subscribe open access

view article

Figure 6
χ² values of independent MD trajectories against SAXS and SANS of h(WT) and SANS of h(a)-pd(bb′)-h(a′). Arrows indicate the lowest χ² values, corresponding to the best agreement with experimental profiles. (a–c) χ² values for individual datasets: agreement between calculated scattering from each trajectory and experimental profiles of (a) SAXS of h(WT), (b) SANS of h(WT) and (c) SANS of h(a)-pd(bb′)-h(a′). (d) Total χ², which is the addition of χ² across all datasets.

JOURNAL OF
APPLIED
CRYSTALLOGRAPHY

ISSN: 1600-5767

Volume 59| Part 4| August 2026| Pages 1270-1281

https://doi.org/10.1107/S1600576726005832

Open

access

Follow J. Appl. Cryst.

Search IUCr Journals		doi		Advanced search
Author		volume	page