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. 2009 Oct 30;65(Pt 11):1153–1156. doi: 10.1107/S1744309109038718

Table 1. X-ray diffraction data statistics.

Values in parentheses are for the highest resolution shell. The data set was collected on the A1 beamline at CHESS.

Wavelength (Å) 0.9789
Space group P63
Unit-cell parameters (Å) a = b = 196.80, c = 156.46
Total No. of reflections 75640
No. of unique reflections 38980 (3863)
Resolution (Å) 30–2.9 (3.0–2.9)
Completeness (%) 99.3 (99.4)
I/σ(I)〉 21.8 (1.4)
Redundancy 14.9 (14.0)
Molecules per ASU 2
Rmerge (%) 11.4 (57.2)
Solvent content 0.671
Matthews coefficient VM3 Da−1) 3.28

R merge = Inline graphic Inline graphic, where Ii(hkl) and 〈I(hkl)〉 represent the diffraction intensity values of the individual measurements and the corresponding mean values.