Table 2. Crystallographic data statistics: Model building and refinement
Dataset Native1 (+β-OG) Native3 (-β-OG)
Resolution range 50-2.4 50-2.75
Unique reflections 44,435 24,851
R cryst * 0.263 0.261
R free 0.294 0.296
Average B-factor, Å2
    Protein (chain A/B) 88.7/64.5 79.1/72.8
    Solvent 84.8 78.9
rms deviation
    Bond length, Å 0.011 0.009
    Bond angle, o 1.706 1.415
Bonded B-factor, Å2
    Main chain 4.37 3.30
    Side chain 7.39 5.87
Ramachandran plot, %
    Favored 82.3 73.2
    Allowed 17.0 26.8
    Generous 0.7 0.0
    Disallowed 0 0
  • * Rcryst = ΣhklFo| -|<Fc>∥/Σhkl|Fo|.

  • Rfree = Rcryst using 5% of Fo sequestered before refinement.