Table 2. Crystal data and refinement parameters
Space groupC2221
Unit cell (Å)
a57.20
b153.77
c135.86
α = β = γ90°
Resolution (Å)2.8
Percent complete (20–2.8 Å)95.5
Percent complete (2.9–2.8 Å)85.1
Protein atoms3428
Ligand atoms232
Total reflections16 071
R.m.s.d. bond (Å)0.019
R.m.s.d. angle3.87°
Rsyma0.075
Rcrystb0.192
  • a Rsym = ΣhΣi|Ihi − <Ih>|/ΣhΣi Ihi, where Ihi and Ih are the intensities of the individual and mean structure factors, respectively.

  • b Rcryst = Σ|FobsFcalc|/ΣFobs, where Fobs and Fcalc are observed and calculated structure factor amplitudes, respectively. Only data with Fobs/σ(Fobs) >2.0 were used in the refinement.