CHORISMATE (ISJ): CHEBI ENTRY 29748 --- CHORISMATE IS MOSTLY DEPROTONATED AT THE PH THAT WAS USED, ...CHORISMATE (ISJ): CHEBI ENTRY 29748 --- CHORISMATE IS MOSTLY DEPROTONATED AT THE PH THAT WAS USED, BUT THE NAME CHORISMIC ACID, C10 H10 O6, COULD ALSO BE USED. PREPHENIC ACID (PRE): PREPHENIC ACID IS DEPROTONATED AT THE PH THAT WAS USED, AND SHOULD THEREFORE BE PRESENT AS PREPHENATE C10 H8 O6
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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: 2.28 Å3/Da / 溶媒含有率: 46.13 % / 解説: NONE
結晶化
pH: 6 詳細: 100 MM MMT BUFFER ---MALIC ACID, MES, TRIS, IN MOLAR RATIOS OF 1:2:2, RESPECTIVELY--- PH 6.0, 125 MM CALCIUM CHLORIDE, 25% W/V PEG 1000
解像度: 1.698→37.964 Å / SU ML: 0.23 / σ(F): 1.98 / 位相誤差: 20.14 / 立体化学のターゲット値: ML 詳細: INITIAL REFINEMENTS WERE PERFORMED WITH REFMAC. FINAL REFINEMENT WAS PERFORMED WITH PHENIX.REFINE.
Rfactor
反射数
%反射
Rfree
0.2185
3546
5 %
Rwork
0.165
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obs
0.1677
70310
93.74 %
溶媒の処理
減衰半径: 0.98 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL / Bsol: 27.171 Å2 / ksol: 0.329 e/Å3