Table 6. Parameters from fits to updated consensus profiles for WAXSiS models.

Website WAXSiS calculations were performed with the ‘thorough’ mode selected for greater convergence. χ² values are calculated with the weighting √(σ_w² + σ_expt²) using the Compare operation within PRIMUS/Qt. WAXSiS standardly scales experimental data to the model, but here we report the constant adjustment, C, after scaling the model to the consensus data for consistency with CRYSOL, Pepsi-SAXS and FoXS (Table 4 ▸).

	Website WAXSiS				Custom WAXSiS				Mean error ratio
Protein	χ2	C	Simulation time (ps)	No. of frames averaged	χ2	C	Simulation time (ps)	No. of frames averaged	Custom WAXSiS/website WAXSiS
Xylose isomerase	19.0	9.30 × 10−4	135.5	259	61.9	9.8 × 10−4	50000	5000	0.20
Urate oxidase	5.2	9.0 × 10−4	158	300	23.6	1.1 × 10−3	50000	5000	0.24
Xylanase	6.6	−1.72 × 10−3	541	1042	6.2	−3.1 × 10−4	50000	5000	0.29
Lysozyme	6.7	−4.4 × 10−4	620.5	1201	11.4	2.2 × 10−4	50000	5000	0.39
RNase A	33.0	8.1 × 10−4	690.5	1341	56.7	−8.4 × 10−5	50000	5000	0.42