uniform 15N labeling, 13C labeling is based on 1,3[13C]-glycerol as carbon source for the bacteria, 15 mg fibre in phosphate buffer
phosphatebuffer
4
uniform 15N labeling, 13C labeling is based on 2[13C]-glycerol as carbon source for the bacteria, 15 mg fibre in phosphate buffer
phosphatebuffer
試料状態
pH: 7 / 圧: 1 atm / 温度: 285 K
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NMR測定
放射
プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M
放射波長
相対比: 1
NMRスペクトロメーター
タイプ: Bruker AVANCE / 製造業者: Bruker / モデル: AVANCE / 磁場強度: 900 MHz
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解析
NMR software
名称
バージョン
開発者
分類
TopSpin
1.3
Bruker
collection
Sparky
3.1
Goddard, T.D., Kneller, D.G.
データ解析
Amber
7
Case, D.A. etal.
構造決定
Amber
7
Case, D.A. etal.
精密化
精密化
手法: simulated annealing, molecular dynamics / ソフトェア番号: 1 詳細: simulated annealing was performed with 25 MAS-NMR derived long range distance constraints and hydrogend bond constraints between the beta strands of 6 repeat units of the protofilament. ...詳細: simulated annealing was performed with 25 MAS-NMR derived long range distance constraints and hydrogend bond constraints between the beta strands of 6 repeat units of the protofilament. Conformer (residues 0-30; 0=M of the N-terminal GSM tag) of lowest energy of the four inner repeat units was subjected to a 1 ns molecular dynamics simulation in water. To distinguish the residues per repeat unit, for annotation an initial digid as hundred is added , such as A: 200-230, B: 300-330, C: 400-430, D: 500-530)
代表構造
選択基準: lowest energy
NMRアンサンブル
コンフォーマー選択の基準: structures with the lowest energy 計算したコンフォーマーの数: 30 / 登録したコンフォーマーの数: 10