構造決定の手法: 分子置換 開始モデル: Pea lectin. Einspahr et al. (1986) J.Biol.Chem. 261:16518-16527. 解像度: 3→46.18 Å / Cor.coef. Fo:Fc: 0.903 / Cor.coef. Fo:Fc free: 0.836 / SU B: 21.043 / SU ML: 0.387 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R Free: 0.563 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. EARLY REFINEMENT USED PROLSQ (AUTHORS: KONNERT AND HENDRICKSON) FOLLOWED BY TORSION-ANGLE MOLECULAR DYNAMICS REFINEMENT USING CNX (AUTHORS: ...詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. EARLY REFINEMENT USED PROLSQ (AUTHORS: KONNERT AND HENDRICKSON) FOLLOWED BY TORSION-ANGLE MOLECULAR DYNAMICS REFINEMENT USING CNX (AUTHORS: BRUNGER, ADAMS, CLORE, DELANO, GROS, GROSSE-KUNSTLEVE, JIANG, KUSZEWSKI, NILGES, PANNU, READ, RICE, SIMONSON, WARREN).
Rfactor
反射数
%反射
Selection details
Rfree
0.3
545
5.1 %
RANDOM
Rwork
0.224
-
-
-
all
0.227
10599
-
-
obs
0.227
10599
92.71 %
-
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