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. 2012 Feb 22;68(Pt 3):333–336. doi: 10.1107/S1744309112003831

Table 2. Data-collection statistics for HsDus2L.

Values in parentheses are for the highest resolution shell.

X-ray source Beamline I04, Diamond
Wavelength (Å) 0.9795
Space group P21
Unit-cell parameters (Å, °) a = 46.3, b = 49.6, c = 69.6, β = 95.7
Resolution limits (Å) 49.6–1.9 (2.0–1.9)
Unique reflections 24244 (3515)
Completeness (%) 97.6 (97.8)
Multiplicity 3.0 (2.8)
I/σ(I)〉 10.4 (1.7)
Rmerge (%) 6.3 (58.5)
Rp.i.m. (%) 4.0 (41.4)
CC1/2§ 0.997 (0.716)
No. of molecules in asymmetric unit 1
VM3 Da−1) 2.1
Solvent content (%) 40.2

R merge = Inline graphic Inline graphic, where I(hkl) is the integrated intensity of a given reflection.

R p.i.m. = Inline graphic Inline graphic Inline graphic.

§

CC1/2 is the half-data-set correlation coefficient.