解像度: 1.4→27.95 Å / Cor.coef. Fo:Fc: 0.979 / Cor.coef. Fo:Fc free: 0.95 / SU B: 2.365 / SU ML: 0.041 / Isotropic thermal model: Isotropic / 交差検証法: R-FREE / ESU R: 0.061 / ESU R Free: 0.063 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: ANISOTROPIC REFINEMENT WITH STEREOCHEMICAL RESTRAINTS. HYDROGEN ATO WERE ADDED AT RIDING POSITIONS. THE SODIUM ION LIES ON A COMMON TWO FOLD AXIS. THE HEME LIBRARY USED IN THE REFINEMENT WAS ...詳細: ANISOTROPIC REFINEMENT WITH STEREOCHEMICAL RESTRAINTS. HYDROGEN ATO WERE ADDED AT RIDING POSITIONS. THE SODIUM ION LIES ON A COMMON TWO FOLD AXIS. THE HEME LIBRARY USED IN THE REFINEMENT WAS CREATED BASE STEREOCHEMICAL PARAMETERS DERIVED FROM THE CAMBRIDGE STRUCTURAL DAT
Rfactor
反射数
%反射
Selection details
Rfree
0.18102
950
6.5 %
RANDOM
Rwork
0.12003
-
-
-
obs
0.12398
13712
97.9 %
-
all
-
13712
-
-
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