解像度: 1.5→30.7 Å / Cor.coef. Fo:Fc: 0.967 / Cor.coef. Fo:Fc free: 0.95 / WRfactor Rfree: 0.1952 / WRfactor Rwork: 0.1571 / Occupancy max: 1 / Occupancy min: 0.37 / FOM work R set: 0.8855 / SU B: 2.595 / SU ML: 0.053 / SU R Cruickshank DPI: 0.0779 / SU Rfree: 0.0819 / 交差検証法: THROUGHOUT / σ(F): 2 / ESU R Free: 0.082 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT. U VALUES WITH TLS ADDED.
Rfactor
反射数
%反射
Selection details
Rfree
0.2005
4128
5 %
RANDOM
Rwork
0.1626
-
-
-
obs
0.1645
82542
93.77 %
-
溶媒の処理
イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: BABINET MODEL WITH MASK