イオン強度: LOW SALT CONDITIONS / 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 AMX600 / 製造業者: Bruker / モデル: AMX600 / 磁場強度: 600 MHz
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解析
NMR software
名称
バージョン
開発者
分類
Discover
BIOSYM
精密化
BRUKER DISNMR
DISNMR
構造決定
BIOSYM/MSI
構造決定
精密化
手法: DYNAMICAL SIMULATED ANNEALING / ソフトェア番号: 1 詳細: THE PROTEIN PART OF THE STRUCTURE WAS FIRST GENERATED USING A RESTRAINTED DYNAMICAL ANNEALING CALCULATION. THE D(ACGCC) NUCLEIC ACID UNDER A DNA CONFORMATION WAS DOCKED APPROXIMATIVELY TO THE ...詳細: THE PROTEIN PART OF THE STRUCTURE WAS FIRST GENERATED USING A RESTRAINTED DYNAMICAL ANNEALING CALCULATION. THE D(ACGCC) NUCLEIC ACID UNDER A DNA CONFORMATION WAS DOCKED APPROXIMATIVELY TO THE PROTEIN BASED ON THE 28 INTERMOLECULAR NOES. THE DOCKED STRUCTURE WAS ENERGY-MINIMIZED UNDER NOES RESTRAINTS. THIS INITIAL COMPLEXED STRUCTURE WAS THEN USED FOR A SECOND SET OF SIMULATED ANNEALING CALCULATION.
NMRアンサンブル
コンフォーマー選択の基準: LEAST RESTRAINT VIOLATION AND LOWEST TOTAL ENERGY 計算したコンフォーマーの数: 50 / 登録したコンフォーマーの数: 10