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. 2011 Mar 24;67(Pt 4):450–453. doi: 10.1107/S174430911005311X

Table 1. Data-collection statistics for hATX.

Values in parentheses are for the outer shell.

Space group C2
Unit-cell parameters (Å, °) a = 311.4, b = 147.9, c = 176.9, β = 122.6
Estimated No. of molecules in asymmetric unit 6
Solvent content (%) 57.1
X-ray source PF-AR NW12A
Detector ADSC Q210r
Wavelength (Å) 1.000
Resolution range (Å) 50–3.00 (3.11–3.00)
No. of observed reflections 480382
No. of unique reflections 132049
Multiplicity 3.6 (2.8)
Mean I/σ(I) 13.0 (3.3)
Rmerge (%) 12.5 (29.3)
Completeness (%) 97.8 (82.3)

R merge = Inline graphic Inline graphic, where Ii(hkl) is the ith measurement and 〈I(hkl)〉 is the weighted mean of all measurements of I(hkl).