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. 2006 Jul 24;62(Pt 8):768–770. doi: 10.1107/S1744309106025553

Table 2. YMTase X-ray data-collection and refinement statistics.

Values in parentheses are for the highest resolution shell.

Space group P21212
Unit-cell parameters (Å) a = 58.7, b = 126.6, c = 156.1
Resolution (Å) 40.00–2.80 (2.95–2.80)
Mosaicity (°) 0.4
No. of unique reflections 27356 (4028)
Completeness (%) 93.3 (95.4)
Redundancy 3.0
Rmerge (%) 14.0 (57.6)
Average I/σ(I) 9.1 (1.9)
R factor (%) 37.8
Rfree§ (%) 42.1

R merge = Inline graphic Inline graphic × 100, where I is the intensity of a reflection and 〈I〉 is the average intensity.

R factor = Inline graphic Inline graphic| × 100.

§

R free is calculated from a randomly selected 5% of data for cross-validation.