Text: THE STRUCTURE WAS DETERMINED USING HETERONUCLEAR NMR SPECTROSCOPY.
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試料調製
詳細
内容: 90% H2O/10% D2O
試料状態
イオン強度: 45 mM SODIUM PHOSPHATE / pH: 6 / 圧: 1 atm / 温度: 303 K
結晶化
*PLUS
手法: other / 詳細: NMR
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NMR測定
NMRスペクトロメーター
タイプ: Bruker AMX / 製造業者: Bruker / モデル: AMX / 磁場強度: 600 MHz
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解析
NMR software
名称
開発者
分類
Discover
BIOSYM/MSI
精密化
Discover
構造決定
精密化
手法: simulated annealing / ソフトェア番号: 1 詳細: STRUCTURE CALCULATIONS WERE PERFORMED USING DISCOVER PROGRAMS COMPRISED IN THE INSIGHTII PACKAGE FROM BIOSYM /MOLECULAR SIMULATIONS. THE AMBER4 FORCE FIELD WAS USED IN THE RESTRAINED ...詳細: STRUCTURE CALCULATIONS WERE PERFORMED USING DISCOVER PROGRAMS COMPRISED IN THE INSIGHTII PACKAGE FROM BIOSYM /MOLECULAR SIMULATIONS. THE AMBER4 FORCE FIELD WAS USED IN THE RESTRAINED MOLECULAR DYNAMICS REFINEMENT STAGE. FOR FURTHER DETAILS SEE BLACKLEDGE ET AL. 1995, 245, 661-681.
NMRアンサンブル
コンフォーマー選択の基準: LEAST RESTRAINT VIOLATION 計算したコンフォーマーの数: 25 / 登録したコンフォーマーの数: 20