THE DEPOSITORS STATE THAT THE FREE ANOMERIC C1 OF THE TERMINAL GLUCOSE MOIETY ADOPTS BOTH ALPHA-D ...THE DEPOSITORS STATE THAT THE FREE ANOMERIC C1 OF THE TERMINAL GLUCOSE MOIETY ADOPTS BOTH ALPHA-D GLUCOSE AND BETA-D-GLUCOSE CONFIGURATIONS, OF WHICH THE BETA OCCURS IN 64 % OF THE MOLECULES. THE BETA-FORM WAS BUILT BECAUSE IT BETTER FITS THE ELECTRON DENSITY.
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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: 2.52 Å3/Da / 溶媒含有率: 51.25 %
結晶化
温度: 295 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 8 詳細: 12 %(w/v) PEG3350, 350 mM NaCl, 20 mM Tris-HCl, protein concentration 13 mg/ml, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K
構造決定の手法: 多波長異常分散 / 解像度: 2.1→47.25 Å / Cor.coef. Fo:Fc: 0.965 / Cor.coef. Fo:Fc free: 0.948 / WRfactor Rfree: 0.1928 / WRfactor Rwork: 0.1603 / FOM work R set: 0.8504 / SU B: 9.326 / SU ML: 0.121 / SU R Cruickshank DPI: 0.1813 / SU Rfree: 0.155 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.181 / ESU R Free: 0.155 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : WITH TLS ADDED
Rfactor
反射数
%反射
Selection details
Rfree
0.2048
2433
5.1 %
RANDOM
Rwork
0.1691
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all
0.1709
48101
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obs
0.1709
48101
99.95 %
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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