構造決定の手法: 多波長異常分散 / 解像度: 1.5→38 Å / Cor.coef. Fo:Fc: 0.972 / Cor.coef. Fo:Fc free: 0.954 / SU B: 4.564 / SU ML: 0.078 / TLS residual ADP flag: LIKELY RESIDUAL / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.078 / ESU R Free: 0.084 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 2. ATOM RECORD CONTAINS RESIDUAL B FACTORS ONLY. 3.ELECTRON DENSITIES CORRESPONDING TO RESIDUES 33-41 AND 107-108 ON THE A SUBUNIT AND ...詳細: 1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 2. ATOM RECORD CONTAINS RESIDUAL B FACTORS ONLY. 3.ELECTRON DENSITIES CORRESPONDING TO RESIDUES 33-41 AND 107-108 ON THE A SUBUNIT AND RESIDUES 33-42 AND 108 ON THE B SUBUNIT WERE DISORDERED AND THESE RESIDUES WERE NOT MODELED. 4.A 2FE-2S CLUSTER (FES) WAS MODELED INTO EACH SUBUNIT IN THE ASYMMETRIC UNIT. THE PRESENCE OF THE 2FE-2S CLUSTER WAS CORRBORATED BY ANOMALOUS DIFFERENCE MAPS. THE PROTEIN LIGANDS TO THE FE ATOMS IN THE 2FE-2S CLUSTERS ARE CYS 72, CYS 74, CYS 83, AND HIS 87.
Rfactor
反射数
%反射
Selection details
Rfree
0.223
1081
5 %
RANDOM
Rwork
0.182
-
-
-
obs
0.184
21479
95.25 %
-
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