Table 1.

Data collection and crystallographic analysis

Wavelength, Å1.0000
Space groupP212121
Unit cell dimensions, Åa = 119.6, b = 125.8, c = 210.2
Resolution, Å107.83–2.80
No. of reflections73,353
Rmerge*0.094 (0.706)
Completeness, %98.1 (94.2)
Redundancy4.1 (3.6)
I11.2 (1.9)
Wilson B factor, Å256.0
R factor, %20.8 (28.6)
Free R factor, %21.8 (32.6)
rmsd bonds, Å0.009
rmsd angles, °1.134
  • Statistics for the highest-resolution bin (2.95–2.80 Å) are shown in parentheses.

  • *Rmerge = ΣhklΣI _li(hkl) − <l(hkl)>_/ΣhklΣili(hkl).