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. 2006 May 31;62(Pt 6):590–592. doi: 10.1107/S1744309106017799

Table 1. Data-collection statistics.

Values in parentheses are for the outermost resolution shell.

Crystal Form I Form II
Wavelength (Å) 0.97799 0.97800
Space group P21212 P212121
Unit-cell parameters (Å) a = 26.3, b = 144.3, c = 61.5 a = 26.2, b = 121.3, c = 142.7
Resolution limits (Å) 50.0–2.45 (2.54–2.45) 50.0–2.70 (2.80–2.70)
Observations 57202 69252
Unique reflections 9119 13423
Completeness (%) 98.2 (81.6) 99.4 (99.5)
Average I/σ(I) 8.8 (3.9) 6.2 (3.3)
Average redundancy 6.3 (4.6) 5.1 (5.0)
Rsym 0.119 (0.424) 0.131 (0.505)

R sym = Inline graphic Inline graphic, where I i is the ith measurement and 〈I(h)〉 is the weighted mean of all measurements of I(h).