TABLE 3.
X-ray modeling fits for the MBL monomer solution structure
| Search | Filter | Models | Hydrated spheres | Rg | Rxs | R-factor |
|---|---|---|---|---|---|---|
| nm | nm | % | ||||
| Search 1, CRD-collagen optimization | None | 5,000 | 602–844 | 4.53–7.36 | 0.69–1.73 | 4.0–11.1 |
| N, Rg, R | 12 | 815–833 | 6.89–7.15 | 1.59–1.68 | 4.0–4.1 | |
| Best-fit | 1 | 828 | 7.14 | 1.60 | 4.0 | |
| Linear modela | 1 | 824 | 7.70 | 1.40 | 5.9 | |
| Experimentala | NAb | 828 | 7.21 ± 0.22 | 1.55 ± 0.1 | NA | |
| Search 2, N-terminal chain A optimization | None | 5,000 | 782–885 | 6.80–7.38 | 1.48–1.73 | 4.1–6.6 |
| N, Rg, R | 12 | 816–853 | 7.05–7.31 | 1.57–1.66 | 4.1–4.2 | |
| Best-fit | 1 | 827 | 7.14 | 1.59 | 4.1 | |
| Search 3, N-terminal chain B optimization | None | 5,000 | 783–882 | 6.73–7.38 | 1.55–1.81 | 4.2–6.5 |
| N, Rg, R | 12 | 833–870 | 7.06–7.25 | 1.64–1.71 | 4.2–4.3 | |
| Best-fit | 1 | 833 | 7.20 | 1.64 | 4.2 | |
| Search 4, N-terminal chain C optimization | None | 5,000 | 784–882 | 6.75–7.33 | 1.50–1.75 | 4.1–7.1 |
| N, Rg, R | 12 | 825–859 | 7.08–7.21 | 1.58–1.70 | 4.1–4.3 | |
| Best-fit | 1 | 825 | 7.16 | 1.61 | 4.1 |
a The values for the linear model and the experimental values are the same in all four searches.
b NA means not applicable.