FAD (FLAVIN-ADENINE DINUCLEOTIDE): SG ATOM OF CYS397 IS COVALENTLY BOUND TO THE C8M ATOM OF THE FAD ...FAD (FLAVIN-ADENINE DINUCLEOTIDE): SG ATOM OF CYS397 IS COVALENTLY BOUND TO THE C8M ATOM OF THE FAD COFACTOR. ROSIGLITAZONE (RGZ): THE PYRIDYL MOIETY OF THE COMPOUND IS NOT VISIBLE IN THE ELECTRON DENSITY, THEREFORE THE EMPIRICAL FORMULA OF THE ACTUAL LIGAND IN THE COORDINATE FILE IS C14 H16 N3 O3 S
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実験情報
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実験
実験
手法: X線回折 / 使用した結晶の数: 1
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試料調製
結晶
マシュー密度: 2.7 Å3/Da / 溶媒含有率: 52 % / 解説: NONE
結晶化
pH: 6.5 詳細: 12% PEG4000, 100 MM ADA PH 6.5, 70 MM LITHIUM SULPHATE
解像度: 1.7→34.19 Å / Cor.coef. Fo:Fc: 0.947 / Cor.coef. Fo:Fc free: 0.918 / SU B: 1.707 / SU ML: 0.057 / 交差検証法: THROUGHOUT / ESU R: 0.096 / ESU R Free: 0.094 / 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
0.21362
3504
2.5 %
RANDOM
Rwork
0.18614
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obs
0.18684
134504
99 %
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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: 1.4 Å / 溶媒モデル: MASK