Text: This structure was determined using standard 2D homonuclear techniques combined with 2D 1H-15N HSQC data.
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試料調製
詳細
Solution-ID
内容
溶媒系
1
1mM SH3 NA, 20mM sodium phosphate, 20 mM DTT-d10, 100 mM NaCl, 0.1% (w/v) NaN3
90% H2O/10% D2O
2
1mM SH3 U-15N, 20mM sodium phosphate, 20 mM DTT-d10, 100 mM NaCl, 0.1% (w/v) NaN3
90% H2O/10% D2O
試料状態
イオン強度: 100 mM NaCl / pH: 7.2 / 圧: ambient / 温度: 307 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 DRX / 製造業者: Bruker / モデル: DRX / 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
XwinNMR
2.6,3.0
Bruker
collection
XEASY
1.3.1.3.
Bartels, Xia, Wuethrich
データ解析
DYANA
1.5
Guentert
構造決定
DYANA
Guentert, Wuethrich
精密化
精密化
手法: Simulated annealing, torsion angle dynamics / ソフトェア番号: 1 詳細: The structures are based on 1010 restraints, 913 are NOE-derived distance contraints, 25 dihedral angle constraints, and 72 distance restraints from hydrogen bonds. Structures were calculated ...詳細: The structures are based on 1010 restraints, 913 are NOE-derived distance contraints, 25 dihedral angle constraints, and 72 distance restraints from hydrogen bonds. Structures were calculated using program DYANA. No further refinement was performed.
代表構造
選択基準: lowest target function
NMRアンサンブル
コンフォーマー選択の基準: structures with the lowest target function 計算したコンフォーマーの数: 200 / 登録したコンフォーマーの数: 20