解像度: 2.2→30 Å / Cor.coef. Fo:Fc: 0.953 / Cor.coef. Fo:Fc free: 0.911 / SU B: 10.249 / SU ML: 0.142 / TLS residual ADP flag: LIKELY RESIDUAL / Isotropic thermal model: Isotropic / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.283 / ESU R Free: 0.218 / 立体化学のターゲット値: Engh & Huber 詳細: Simulated annealing was performed with the CNS software in the first cycle or refinement. Used TLS refinement. Tyr 145 from the B and D molecules presented weak density for an alternate ...詳細: Simulated annealing was performed with the CNS software in the first cycle or refinement. Used TLS refinement. Tyr 145 from the B and D molecules presented weak density for an alternate conformation that was not modeled.
Rfactor
反射数
%反射
Selection details
Rfree
0.23266
1530
5.1 %
RANDOM
Rwork
0.165
-
-
-
all
0.1685
30163
-
-
obs
0.1685
28633
99.91 %
-
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