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. 2012 May 23;68(Pt 6):695–697. doi: 10.1107/S1744309112016661

Table 1. Data-collection and processing statistics and crystallographic parameters.

Values in parentheses are for the highest resolution shell.

Space group P41 or P43
Unit-cell parameters (Å) a = b = 75.63, c = 114.9
Wavelength (Å) 0.95
Resolution (Å) 75.59–5.00 (5.27–5.00)
Observed reflections 10543 (1529)
Unique reflections 2851 (407)
Multiplicity 3.7 (3.8)
Data completeness (%) 99.9 (100)
Rmerge 0.235 (0.467)
Average I/σ(I) 2.8 (1.7)
Mosaicity (°) 0.55

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