TABLE 3.
Fitting parameters of the single SAXS curves at different GuHCl and NaCl conditions obtained from the global fits of hexameric and CaeSS2 Hc
 |
Rg(Å) | κm (a.u. cm) | Bm (102 a.u.) | α1 | α6 | α12 | α24 | αD | ∑niαi | |
|---|---|---|---|---|---|---|---|---|---|---|
| Hexameric Hc | ||||||||||
| GuHCl (M) | ||||||||||
| 0.00 | 0.79 | 49 ± 1 | 47.5 ± 0.4 | 9 ± 1 | 0.075 ± 0.008 | 0.925 ± 0.008 | – | – | – | 5.62 ± 0.06 |
| 0.50 | 0.61 | 49 ± 1 | 41.4 ± 0.8 | 8 ± 2 | 0.08 ± 0.02 | 0.92 ± 0.02 | – | – | – | 5.6 ± 0.1 |
| 1.00 | 1.27 | 49 ± 1 | 46 ± 1 | 20 ± 4 | 0.09 ± 0.03 | 0.92 ± 0.03 | – | – | – | 5.6 ± 0.2 |
| 1.25 | 0.57 | 64 ± 1 | 42.9 ± 0.6 | 11 ± 7 | 0.08 ± 0.03 | 0.5 ± 0.3 | 0.4 ± 0.2 | – | – | 8 ± 4 |
| 1.50 | 1.01 | 73 ± 1 | 55.5 ± 0.7 | 67 ± 9 | 0.005 ± 0.004 | – | 1.0 ± 0.6 | 0.0 ± 0.3 | – | 12 ± 15 |
| 1.75 | 0.52 | 82 ± 2 | 45 ± 62 | 54 ± 26 | – | – | 0.4 ± 0.3 | 0.6 ± 0.4 | – | 19 ± 13 |
| 2.50 | 0.48 | 226 ± 5 | 44 ± 34 | 6 ± 3 | – | – | – | 0.015 ± 0.007 | 0.985 ± 0.007 | 1.3 ± 0.2 |
| 3.50 | 0.35 | 258 ± 5 | 49 ± 7 | 12 ± 1 | – | – | – | – | 1.000 | 1.000 |
| NaCl (M) | ||||||||||
| 0.00 | 0.79 | 49 ± 1 | 47.5 ± 0.4 | 9 ± 1 | 0.075 ± 0.008 | 0.925 ± 0.008 | – | – | – | 5.62 ± 0.06 |
| 0.50 | 0.57 | 49 ± 1 | 56.1 ± 0.2 | 36 ± 3 | – | 1.000 | – | – | – | 6.000 |
| 1.00 | 0.42 | 49.2 ± 0.8 | 48.1 ± 0.1 | 10.1 ± 0.7 | – | 1.000 | – | – | – | 6.000 |
| 1.25 | 0.33 | 49.2 ± 0.9 | 43.6 ± 0.1 | 9.0 ± 0.6 | – | 1.000 | – | – | – | 6.000 |
| 1.50 | 0.38 | 49.2 ± 0.8 | 55.1 ± 0.2 | 38 ± 1 | – | 1.000 | – | – | – | 6.000 |
| 1.75 | 0.40 | 49 ± 1 | 53.7 ± 0.1 | 50 ± 2 | – | 1.000 | – | – | – | 6.000 |
| 2.00 | 0.55 | 49 ± 1 | 54.9 ± 0.2 | 35 ± 2 | – | 1.000 | – | – | – | 6.000 |
| 2.50 | 0.62 | 49.2 ± 0.9 | 52.8 ± 0.2 | 44 ± 3 | – | 1.000 | – | – | – | 6.000 |
| 3.00 | 0.44 | 57 ± 1 | 47 ± 12 | 38 ± 6 | – | 0.9 ± 0.2 | 0.03 ± 0.05 | 0.04 ± 0.02 | – | 7 ± 2 |
| CaeSS2 Hc | ||||||||||
| GuHCl (M) | ||||||||||
| 0.00 | 0.80 | 30.0 ± 0.7 | 51.7 ± 0.6 | 3 ± 1 | 0.989 ± 0.005 | 0.011 ± 0.005 | – | – | – | 1.06 ± 0.04 |
| 0.50 | 0.43 | 46.5 ± 0.9 | 47 ± 2 | 61 ± 3 | 0.54 ± 0.04 | 0.46 ± 0.06 | – | – | – | 3.3 ± 0.9 |
| 1.25 | 0.61 | 85 ± 2 | 41 ± 2 | 62 ± 6 | 0.01 ± 0.04 | – | 0.001 ± 0.002 | 0.99 ± 0.05 | – | 24 ± 1 |
| 1.50 | 1.03 | 85 ± 2 | 42.1 ± 0.8 | 92.5 ± 0.5 | – | – | – | 1.00 ± 0.02 | 0.002 ± 0.001 | 24.0 ± 0.5 |
| 1.75 | 0.46 | 85 ± 1 | 54 ± 1 | 69 ± 1 | – | – | – | 0.96 ± 0.03 | 0.05 ± 0.02 | 23.0 ± 0.8 |
| 2.00 | 0.46 | 201 ± 2 | 40 ± 24 | 1 ± 1 | – | – | – | 0.0 ± 0.3 | 1.0 ± 0.5 | 2 ± 9 |
| 2.50 | 0.49 | 258 ± 6 | 55.9 ± 0.6 | 0.5 ± 0.1 | – | – | – | – | 1.000 | 1.000 |
| 3.00 | 0.19 | 258 ± 4 | 58 ± 3 | 7.0 ± 0.7 | – | – | – | – | 1.000 | 1.000 |
| NaCl (M) | ||||||||||
| 0.00 | 0.80 | 30.0 ± 0.7 | 51.7 ± 0.6 | 3 ± 1 | 0.989 ± 0.005 | 0.011 ± 0.005 | – | – | – | 1.06 ± 0.04 |
| 0.50 | 0.46 | 32.3 ± 0.5 | 56.8 ± 0.5 | 17 ± 2 | 0.970 ± 0.006 | 0.030 ± 0.006 | – | – | – | 1.15 ± 0.04 |
| 1.00 | 0.60 | 35.9 ± 0.7 | 51.1 ± 0.3 | 2.6 ± 0.7 | 0.931 ± 0.003 | 0.069 ± 0.003 | – | – | – | 1.34 ± 0.02 |
| 1.25 | 0.41 | 37.9 ± 0.8 | 46.4 ± 0.3 | 13.1 ± 0.5 | 0.902 ± 0.004 | 0.098 ± 0.004 | – | – | – | 1.49 ± 0.02 |
| 1.50 | 0.46 | 39.7 ± 0.9 | 58 ± 1 | 19 ± 1 | 0.867 ± 0.009 | 0.133 ± 0.009 | – | – | – | 1.67 ± 0.06 |
| 1.75 | 0.67 | 41.2 ± 0.7 | 52 ± 2 | 23 ± 3 | 0.83 ± 0.02 | 0.17 ± 0.02 | – | – | – | 1.9 ± 0.1 |
| 2.00 | 0.38 | 43 ± 1 | 57 ± 2 | 45 ± 4 | 0.78 ± 0.02 | 0.22 ± 0.02 | – | – | – | 2.1 ± 0.2 |
| 2.50 | 0.45 | 44.5 ± 0.9 | 43 ± 3 | 36 ± 4 | 0.69 ± 0.03 | 0.31 ± 0.05 | – | – | – | 2.5 ± 0.7 |
is the partial merit functional; Rg is the gyration radius calculated from the p(r); κm and Bm are the scaling factor and the flat background, respectively; αi is the monomer fraction in the ith form; and ∑niαi is the average aggregation number.