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. 2011 Nov 25;67(Pt 12):1548–1550. doi: 10.1107/S1744309111040590

Table 1. Data-collection statistics.

Values in parentheses are for the last shell.

Beamline Spring-8 BL26B1
Wavelength (Å) 1.0
Resolution range (Å) 50.0–3.0 (3.05–3.00)
Space group P41
Unit-cell parameters (Å) a = b = 82.2, c = 233.2
Total No. of reflections 1169323
No. of unique reflections 30477
Completeness (%) 98.2 (95.9)
Molecules per asymmetric unit 4
Solvent content (%) 43.5
Average I/σ(I) 10.6 (2.4)
Rmerge (%) 11.5 (38.2)
Rp.i.m. (%) 9.5 (35.5)
Multiplicity 4.2 (3.1)

R merge = Inline graphic Inline graphic.

R p.i.m. = Inline graphic Inline graphic Inline graphic, where Ii(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.