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. 2012 Jan 26;68(Pt 2):196–198. doi: 10.1107/S1744309111053942

Table 1. Data-collection statistics for the (BACCR)NAT3 crystal.

Values in parentheses are for the highest resolution shell.

X-ray source Beamline PX3, Swiss Light Source
Wavelength (Å) 0.984
Temperature (K) 100
Unit-cell parameters (Å, °) a = 90.44, b = 44.52, c = 132.98, α = γ = 90.0, β = 103.8
Space group C121
Resolution limits (Å) 20.0–2.425
No. of observations 147178 (22195)
No. of unique reflections 19910 (3060)
Rmerge (%) 11.3 (43.7)
Completeness (%) 99.3 (97.2)
I/σ(I)〉 19.07 (4.28)

R merge = Inline graphic Inline graphic, where Ii(hkl) is the ith observation of reflection hkl and 〈I(hkl)〉 is the mean intensity of reflection hkl.