HETEROGEN THE AUTHOR STATES THAT THE LI5 RESIDUE IN MOLECULE B DOES NOT CONTAIN C32 ATOM BECAUSE ...HETEROGEN THE AUTHOR STATES THAT THE LI5 RESIDUE IN MOLECULE B DOES NOT CONTAIN C32 ATOM BECAUSE THIS ATOM WAS NOT DETECTED IN THE ELECTRON DENSITY FOR MOLECULE B BUT WAS DETECTED IN MOLECULE A.
解像度: 1.7→1.76 Å / Mean I/σ(I) obs: 3.7 / Rsym value: 0.165 / % possible all: 91.2
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解析
ソフトウェア
名称
バージョン
分類
REFMAC
5.2.0005
精密化
DENZO
データ削減
SCALEPACK
データスケーリング
SHARP
位相決定
精密化
構造決定の手法: 単波長異常分散 / 解像度: 1.7→20 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.948 / SU B: 1.958 / SU ML: 0.067 / 交差検証法: THROUGHOUT / ESU R: 0.107 / ESU R Free: 0.105 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.20217
2873
5 %
RANDOM
Rwork
0.16555
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obs
0.16746
54126
94.5 %
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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: MASK