ACHE WAS PHOSPHONYLATED WITH VX, THE CONJUGATE WAS CRYSTALLIZED, AND THE NON-AGED STRUCTURE WAS ...ACHE WAS PHOSPHONYLATED WITH VX, THE CONJUGATE WAS CRYSTALLIZED, AND THE NON-AGED STRUCTURE WAS SOLVED. THE AGED CONJUGATE (COMPLETE DEALKYLATION OF OP ETHYL GROUP) ALSO WAS SOLVED BY X-RAY DIFFRACTION, AND IS DEPOSITED UNDER A SEPARATE PDB ACCESSION CODE.
非ポリマーの詳細
O-ETHYLMETHYLPHOSPHONATE ADDUCT COVALENTLY BOUND TO S200 TWO MES MOLECULES (CRYSTALLIZATION BUFFER) ...O-ETHYLMETHYLPHOSPHONATE ADDUCT COVALENTLY BOUND TO S200 TWO MES MOLECULES (CRYSTALLIZATION BUFFER) ARE INCLUDED IN THE PRESENT MODEL.
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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: 3.8 Å3/Da / 溶媒含有率: 68 %
結晶化
温度: 277 K / pH: 6 詳細: 35-40% (W/V) PEG-200 0.15 M MES BUFFER PH 6, 0.05 M NACL, pH 6.00, temperature 277.00K
解像度: 2.2→30 Å / Rfactor Rfree error: 0.005 / Data cutoff high rms absF: 2738492.82 / Isotropic thermal model: RESTRAINED / 交差検証法: THROUGHOUT / σ(F): 0 詳細: USED COMPOSITE-OMIT MAP METHOD CONTINUOUS POSITIVE DIFFERENCE DENSITY IN (FO-FC) MAPS OCCURS IN FRONT OF THE INDOLE RINGS OF W84 AND W279. THIS DENSITY IS PRESENTLY MODELED WITH WATERS ...詳細: USED COMPOSITE-OMIT MAP METHOD CONTINUOUS POSITIVE DIFFERENCE DENSITY IN (FO-FC) MAPS OCCURS IN FRONT OF THE INDOLE RINGS OF W84 AND W279. THIS DENSITY IS PRESENTLY MODELED WITH WATERS 1007/1008/1009 (W84) AND WATERS 1005/1003/1004/1002 (W279)