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. 2012 Mar 28;68(Pt 4):468–471. doi: 10.1107/S1744309112006963

Table 1. Diffraction data statistics.

Values in parentheses are for the highest resolution shell.

Space group P21212
Unit-cell parameters (Å) a = 77.6, b = 191.3, c = 90.6
Wavelength (Å) 1.54182
Resolution range (Å) 25–3.8 (3.94–3.80)
Total observations 29289
Unique reflections 11126 (1087)
Multiplicity 2.6 (2.6)
Completeness (%) 80.0 (84.5)
Mean I/σ(I) 4.1 (2.7)
Rmeas 0.168 (0.299)
Rp.i.m. 0.075 (0.136)

R meas = Inline graphic Inline graphic and R p.i.m. = Inline graphic Inline graphic, where Ii(hkl) is the intensity of the ith measurement of a symmetry-related reflection with indices hkl.