溶液NMR / Sparky ASSIGNMENT - CYANA structure calculations; run1: use 70% most intense peaks for initial fold, run2: refine initial fold using all peaks - water refinement with CNS
内容: 0.3 mM ZHX1-ZNF; 50 mM NaPO4; 150 mM NaCl; 40 uM ZnCl2, 90% H2O, 10% D2O 溶媒系: 90% H2O/10% D2O
試料状態
pH: 8 / 圧: ambient / 温度: 293 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
XwinNMR
3.5
BRUKER
collection
XwinNMR
3.5
BRUKER
解析
Sparky
3
GoddardandKneller
データ解析
CYANA
2.1
Guntert
構造決定
CNS
1.1
Brunger
精密化
精密化
手法: Sparky ASSIGNMENT - CYANA structure calculations; run1: use 70% most intense peaks for initial fold, run2: refine initial fold using all peaks - water refinement with CNS ソフトェア番号: 1 詳細: Structures are based on 2034 distance restraints (including for each of the two zinc-fingers 4 C2H2-to-Zinc restraints and 6 C2H2 restraints to arrange their Zn-coordinating atoms in a ...詳細: Structures are based on 2034 distance restraints (including for each of the two zinc-fingers 4 C2H2-to-Zinc restraints and 6 C2H2 restraints to arrange their Zn-coordinating atoms in a tetrahedron). In addition 192 dihedral restraints were used (100 from TALOS and 92 from CSI).
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 acceptable covalent geometry,structures with the lowest energy,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: 20