Table 1. X-ray diffraction and data-collection statistics.
VN5-3 | VN4-3 | |
---|---|---|
Wavelength (Å) | 0.98 | 1.0 |
Space group | R32 | R32 |
Unit-cell parameters (Å, °) | a = b = 76.29, c = 303.35, α = β = 90, γ = 120 | a = b = 76.28, c = 304.39, α = β = 90, γ = 120 |
No. of molecules in AU | 2 | 2 |
No. of observed reflections | 83182 | 259886 |
No. of unique reflections | 7107 | 20434 |
Resolution (Å) | 30.0–3.0 (3.11–3.0) | 30.0–2.2 (2.25–2.2) |
Completeness of data (%) | 100 (99.9) | 100 (100) |
I/σ(I) | 17.7 (5.4) | 25.1 (4.1) |
Rmerge† (%) | 17.0 (54.3) | 9.8 (49.7) |
R merge = , where I(h, i) is the intensity of ith measurement of reflection h and 〈I(h)〉 is the mean value of I(h, i) for all i measurements.