解像度: 2.1→95.5 Å / Cor.coef. Fo:Fc: 0.968 / Cor.coef. Fo:Fc free: 0.935 / SU B: 4.668 / SU ML: 0.122 / 交差検証法: THROUGHOUT / ESU R: 0.202 / ESU R Free: 0.176 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. Note that the R-free set was chosen in thin resolution shells and hence the outer shell (Shell 1, below) did not contain any free-set ...詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. Note that the R-free set was chosen in thin resolution shells and hence the outer shell (Shell 1, below) did not contain any free-set reflections. The R-free and N(R-free) given below relate the highest resolution shell which contained free-set reflections.