解像度: 1.85→67.66 Å / Cor.coef. Fo:Fc: 0.964 / Cor.coef. Fo:Fc free: 0.941 / SU B: 5.432 / SU ML: 0.147 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.145 / ESU R Free: 0.145 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY THE ALKYL CHAIN OF THE LIGAND IN MOLECULE A IS MODELLED PARTLY, WITH SOME ATOMS AT PARTIAL OCCUPANCY. THE ...詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY THE ALKYL CHAIN OF THE LIGAND IN MOLECULE A IS MODELLED PARTLY, WITH SOME ATOMS AT PARTIAL OCCUPANCY. THE LIGAND IN MOLECULE B IS MODELLED AT HALF OCCUPANCY, AND AN ETHYLENE GLYCOL AT HALF OCCUPANCY IS ALSO BOUND IN THE ACTIVE SITE.
Rfactor
反射数
%反射
Selection details
Rfree
0.2436
7873
5 %
RANDOM
Rwork
0.1891
-
-
-
obs
0.1918
150387
99.89 %
-
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: MASK