構造決定の手法: 分子置換 開始モデル: inhouse model 解像度: 1.1→37.73 Å / Cor.coef. Fo:Fc: 0.974 / Cor.coef. Fo:Fc free: 0.968 / SU B: 0.747 / SU ML: 0.017 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.03 / ESU R Free: 0.03 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: Benzoisothiazol-3-one ring-opened by nucleophilic addition of two cysteines, one in the active site, the other near the N-terminus result is SS-bond with 2-thiobenzamide (amide of thiosalicylic acid)
Rfactor
反射数
%反射
Selection details
Rfree
0.164
2695
5.1 %
RANDOM
Rwork
0.1415
-
-
-
obs
0.1427
50479
98.3 %
-
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