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. 2005 Jan 8;61(Pt 2):189–192. doi: 10.1107/S1744309104033688

Table 1. X-ray diffraction and data-collection statistics.

The values in parentheses refer to the outermost shell.

  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 = Inline graphic Inline graphic, where I(hi) is the intensity of ith measurement of reflection h and 〈I(h)〉 is the mean value of I(hi) for all i measurements.