TABLE 1.
X-ray data collection and refinement statistics for the VH1 structure
The numbers in parenthesis refer to the statistics for the outer resolution shell (1.37-1.32 Å).
| Parameter | Value |
|---|---|
| Data collection statistics | |
| Wavelength (Å) | 0.918 |
| Space group | C2221 |
| Unit cell dimensions (Å) | a = 63.82, b = 38.69, c = 134.99 |
| Angles (degrees) | α = β = γ = 90 |
| Resolution range (Å) | 20-1.32 |
| B value from Wilson plot (Å2) | 19.3 |
| Total observations | 1,982,346 |
| Unique observations | 35,905 |
| Completeness (%) | 90.9 (51.4) |
| Rsyma (%) | 5.7 (35.7) |
| <I>/<σ(I)> | 65.6 (2.5) |
| Refinement statistics | |
| No. of reflections (15-1.32Å) | 33,998 (1,250) |
| Rwork/Rfreeb (%) | 17.1/18.5 (36.2/38.4) |
| No. of water molecules | 300 |
| B value of model (Å2) | 26.4 |
| r.m.s. deviation from ideal bond length (Å) | 0.008 |
| r.m.s. deviation from ideal bond angles (degrees) | 1.186 |
| Ramachandran plot (%) | |
| Core region | 90 |
| Allowed region | 10 |
| Generously allowed region | 0 |
| Disallowed region | 0 |
a
Rsym = ∑i,h|I(i,h) - <I(h)>|/∑i,h|I(i,h)|, where I(i,h) and <I(h)> are the ith and mean measurement of intensity of reflection h.
b
The Rfree value was calculated using 5% of the data.