Prediction of hydrodynamic and small-angle scattering parameters from crystal and electron microscopic structures

Hydrodynamic multibody models (bead models) of selected proteins were derived from crystal, SAXS and electron microscopic structures, by using various data reduction procedures. Pair distance distribution functions and scattering curves of initial and reduced models were calculated in order to check the maintainance of the structural characteristics of the molecules. Hydrodynamic calculations were performed by using a novel concept for handling overlaps between unequal beads. Predicted hydrodynamic parameters were found to be in good accord with observed data, provided hydration contributions were taken into account appropriately.