ALS-ENABLE: creating synergy and opportunity at the Advanced Light Source synchrotron structural biology beamlines

Ralston, C.Y.; Gupta, S.; del Mundo, J.T.; Soe, A.C.; Russell, B.; Rad, B.; Tyler, J.; Paul, S.; Kahan, D.N.; Kristensen, L.G.; Subramanian, S.; Kidd, S.; Burnett, K.; Sankaran, B.; Classen, S.; Progozhin, D.; Taylor, J.R.; Dickert, J.M.; Royal, K.B.; Rozales, A.; Ortega, S.L.; Allaire, M.; Nix, J.C.; Hura, G.L.; Holton, J.M.; Hammel, M.; Adams, P.D.

doi:10.1107/S1600577525004205

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Figure 3
SAXS on SpyCatcher003-SpyTag003. (a) Pair distribution functions, area-normalized by molecular weight, and (b) SAXS curves (offset) and residuals of the SpyCatcher003–SpyTag003-sfGFP complex (blue), SpyTag003-sfGFP (green) and SpyCatcher003 (red). The gray curve indicates the fit by the FoXS of the AlphaFold prediction of the complex. Black curves indicate the fits by FoXS from BilboMD-fitted models. (c) Comparison of the crystallography complex (PDB entry 4mli) with the AlphaFold prediction. (d)–(f) Best fit conformations of (d) SpyCatcher003–SpyTag003-sfGFP complex, 2-state ensemble; (e) SpyTag003-sfGFP, 1-state ensemble; and (f) SpyCatcher003, 1-state ensemble, after BilboMD fitting.

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Volume 32| Part 4| July 2025|

https://doi.org/10.1107/S1600577525004205

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