Text: The TOCSY spectra were performed with a mixing time of 80 ms. NOESY spectra were acquired with mixing time of 200 and 300 ms. For all spectra watergate was used as scheme for solvent ...Text: The TOCSY spectra were performed with a mixing time of 80 ms. NOESY spectra were acquired with mixing time of 200 and 300 ms. For all spectra watergate was used as scheme for solvent suppression. For the first six residues no signals were observed.
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試料調製
詳細
内容: concentration 10 mg/ml, 20 mM NaCl, 10% D2O in H2O / 溶媒系: 10% D2O in H2O
試料状態
イオン強度: 0.2 M / pH: 8 / 圧: 1 atm / 温度: 298 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 / 散乱光タイプ: x-ray
放射波長
相対比: 1
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: 500 MHz
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解析
NMR software
名称
バージョン
開発者
分類
XwinNMR
2.6
Bruker
collection
XEASY
1.3.13
P. GuntertandK. Wuthrichetal
データ解析
DYANA
1.5
P. GuntertandK. Wuthrichetal
構造決定
GROMACS
3.3.1
DavidvanderSpoeletal.
精密化
精密化
手法: the structures were obtained by torsion angle dynamic calculation, energy minimization. ソフトェア番号: 1 詳細: The structure were obtained using 635 non redundant NOE-derived distance restraints and were minimised with 1000 steps of conjugated gradient and 1000 of steepest discent. For the first six ...詳細: The structure were obtained using 635 non redundant NOE-derived distance restraints and were minimised with 1000 steps of conjugated gradient and 1000 of steepest discent. For the first six residues no signals were observed.
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: 20 / 登録したコンフォーマーの数: 10