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. 2010 Dec 21;67(Pt 1):44–47. doi: 10.1107/S1744309110038820

Table 1. Data-collection statistics.

Values in parentheses are for the last resolution shell.

Source Beamline 4A, PLS
Wavelength (Å) 0.96418
Resolution range (Å) 55.8–2.0
Space group P61
Unit-cell parameters (Å)  
a = b 64.4
c 36.5
Total No. of reflections 51450
No. of unique reflections 6225
Completeness (%) 99.8 (100.0)
Molecules per asymmetric unit 1
VM3 Da−1) 2.05
Solvent content (%) 39.9
Average I/σ(I) 12.3 (2.8)
Rmerge (%) 8.4 (63.0)

R merge = Inline graphic Inline graphic, where I i(hkl) is the intensity of reflection hkl, Inline graphic is the sum over all reflections, Inline graphic is the sum over i measurements of reflection hkl and 〈I(hkl)〉 is the weighted average intensity of all observations i of reflection hkl.