Table 2. SAXS statistics.
| Ab initio modelling | ||||||||
| Concentration | Molecular weight kDaa | Number of amino acids | Rg (Guinier) Å | Rg (GNOM) Å | Porod Volume Å3 | Dmax Å | χ(DAMMIF)b | NSDc |
| PfbAΔC | 61.2* | 565 | ||||||
| 2.5 mg.ml−1 | 67.7 | 35.0±3.2 | 35.2 | 86320 | 120 | 1.60 | 0.56±0.01 | |
| 1.75 mg.ml−1 | 66.0 | 34.8±2.2 | 35.1 | 88430 | 120 | 1.56 | 0.53±0.02 | |
| 1.0 mg.ml−1 | 65.0 | 32.8±1.2 | 33.3 | 84500 | 115 | 1.51 | 0.56±0.01 | |
| BSA | 66.4* | 607 | ||||||
| 4.8 mg.ml−1 | 67.2 | 33.9±0.3 | 32.4 | 123700 | 95 | N/A | N/A | |
*
Theoretical molecular weight.
a
calculated by the method of Fischer et al. [24].
b
average of χ-values determined for the 20 models calculated by the DAMMIF ab initio modelling procedure [25]. Standard deviations calculated for the χ-values were <0.001.
c
averaged normalized spatial discrepancies (NSD) for the 20 models calculated by the DAMMIF ab initio modeling procedure [44].