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

Table 1. MMTase X-ray data-collection and refinement statistics.

Values in parentheses are for the highest resolution shell.

Space group P43
Unit-cell parameters (Å) a = b = 83.0, c = 170.2
Resolution (Å) 40.00–2.90 (3.06–2.90)
Mosaicity (°) 0.67
No. of unique reflections 24302 (3582)
Completeness (%) 95.4 (96.8)
Redundancy 3.2
Rmerge (%) 9.5 (52.6)
Average I/σ(I) 12.4 (3.1)
R factor (%) 34.9
Rfree§ (%) 41.2

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.