Text: The structure was determined using triple-resonance NMR spectroscopy
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試料調製
詳細
Solution-ID
内容
溶媒系
1
1 mM Zn(II)Cox4 U-15N, 50mM phosphate buffer NA, 200 mM NaCl, 90% H2O, 10% D2O
90% H2O/10% D2O
2
1 mM Zn(II)Cox4 U-15N,13C, 50mM phosphate buffer NA, 200 mM NaCl, 90% H2O, 10% D2O
90% H2O/10% D2O
試料状態
イオン強度: 50 mM phosphate, 200 mM NaCl / pH: 6.9 / 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
放射波長
相対比: 1
NMRスペクトロメーター
タイプ
製造業者
モデル
磁場強度 (MHz)
Spectrometer-ID
Bruker AVANCE
Bruker
AVANCE
800
1
Bruker AVANCE
Bruker
AVANCE
500
2
Bruker AVANCE
Bruker
AVANCE
700
3
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解析
NMR software
名称
バージョン
分類
XwinNMR
collection
XwinNMR
解析
CARA
データ解析
CYANA
構造決定
Amber
8
精密化
精密化
手法: torsion angle dynamics / ソフトェア番号: 1 詳細: Structure calculations were performed with the software package ATNOS/CANDID/CYANA. The structures are based on a total of 1218 restraints, 1172 are NOE-derived distance constraints, 46 are ...詳細: Structure calculations were performed with the software package ATNOS/CANDID/CYANA. The structures are based on a total of 1218 restraints, 1172 are NOE-derived distance constraints, 46 are dihedral angle restraints.
代表構造
選択基準: minimized average structure
NMRアンサンブル
コンフォーマー選択の基準: target function / 計算したコンフォーマーの数: 100 / 登録したコンフォーマーの数: 21