Table 3.
Experimental X-ray and analytical ultracentrifugation data for FH Tyr-402/Val-62 and His-402/Val-62 and their modeling fits
| Filter | Models | Rg | RXS-1 | RXS-2 | L | R factor | s20, w0 | |
|---|---|---|---|---|---|---|---|---|
| nm | nm | nm | nm | % | S | |||
| Experimental data | ||||||||
| FH Tyr-402/Val-62 | 7.39 ± 0.25 | 2.21 ± 0.06 | 1.77 ± 0.01 | 28–29 | 5.66 ± 0.08 | |||
| 7.35 ± 0.13 | 2.27 ± 0.06 | 1.77 ± 0.01 | ||||||
| 7.61 ± 0.01a | ||||||||
| FH His-402/Val-62 | 7.77 ± 0.27 | 2.02 ± 0.06 | 1.76 ± 0.01 | 26–28 | 5.69 ± 0.02 | |||
| 7.22 ± 0.15 | 2.15 ± 0.06 | 1.75 ± 0.01 | ||||||
| 7.54 ± 0.01a | ||||||||
| Atomistic modeling | ||||||||
| Library of 29,715 FH models | None | 29,715 | 5.61–11.08 | NAb | NA | NA | 2.8–25.3 | NA |
| FH Tyr-402/Val-62 (sample 1) | Rg and R-factor | 1240 | 7.02–7.75 | NA | NA | NA | 2.3–4.9 | NA |
| Best fit | 100 | 7.02–7.57 | 2.34–2.98 | 1.85–2.10 | NA | 2.3–3.2 | 5.35–5.77 | |
| PCA group 2 (NT out) | 49 | 7.34–7.57 | 2.34–2.62 | 1.95–2.10 | NA | 2.7–3.2 | 5.38–5.77 | |
| Centroid | 1 | 7.41 | 2.50 | 2.03 | NA | 3.1 | 5.52 | |
| FH Tyr-402/Val-62c (sample 2; data not shown) | Rg and R-factor | 2,678 | 6.98–7.72 | NA | NA | NA | 1.9–4.9 | NA |
| Best fit | 100 | 7.03–7.47 | 2.71–3.05 | 1.81–2.04 | NA | 1.9–2.7 | 5.33–5.70 | |
| PCA group 14 (NT in) | 48 | 7.11–7.43 | 2.71–2.98 | 1.81–1.99 | NA | 1.9–2.7 | 5.36–5.70 | |
| Centroid | 1 | 7.32 | 2.84 | 1.95 | NA | 2.2 | 5.49 | |
| FH His-402/Val-62 (sample 1) | Rg and R-factor | 1,219 | 7.38–8.16 | NA | NA | NA | 2.3–4.9 | NA |
| Best fit | 100 | 7.39–8.13 | 2.32–3.15 | 1.48–1.97 | NA | 2.4–3.6 | 5.21–5.61 | |
| PCA group 5 (NT in) | 79 | 7.39–7.95 | 2.67–3.07 | 1.64–1.94 | NA | 2.5–3.6 | 5.21–5.55 | |
| Centroid | 1 | 7.48 | 2.92 | 1.87 | NA | 3.2 | 5.44 | |
| FH His-402/Val-62 (sample 2; data not shown) | Rg and R-factor | 310 | 6.86–7.58 | NA | NA | NA | 2.7–4.9 | NA |
| Best fit | 100 | 6.86–7.57 | 2.09–2.93 | 1.82–2.10 | NA | 2.7–4.0 | 5.38–5.88 | |
| PCA group 19 (NT out) | 84 | 6.86–7.57 | 2.28–2.82 | 1.89–2.10 | NA | 2.7–4.0 | 5.38–5.78 | |
| Centroid | 1 | 7.40 | 2.48 | 2.03 | NA | 3.8 | 5.51 | |
a The Rg, Rxs, and L values correspond to the SAXS curve extrapolated to zero concentration. The two Rg values correspond to the Guinier fits; the third corresponds to the P(r) analyses.
b NA is not available.
c In this instance I62V was heterozygous; the other three were homozygous for Val-62.