内容: 2MM F35Y CYTOCHROME B5;1MM PHOSPHATE BUFFER; PURGED WITH NITROGEN GAS AND REDUCED BY ADDING FEW GRAINS OF SODIUM DITHIONATE AND SEALED USING OXY-ACETYLENE TORCH; 0.05 MM TSP AS INTERNAL REFERENCE 溶媒系: 90% H2O/10% D2O
試料状態
イオン強度: 1 mM / pH: 7.0 / 圧: ambient / 温度: 313 K
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NMR測定
NMRスペクトロメーター
タイプ: Bruker DMX / 製造業者: Bruker / モデル: DMX / 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
DYANA
1.5
Guentert, P.
精密化
XwinNMR
2.1
Bruker
collection
Felix
97
MSI
データ解析
NMRPipe
1.8
Delaglio, F.
解析
精密化
手法: torsion angle dynamics / ソフトェア番号: 1 詳細: THE STRUCTURE WAS CALCULATED USING 1177 NOE RESTRAINTS AND 75 DIHEDRAL ANGLE RESTRAINTS; RESIDUES 1-3 AND 89-94 WERE NOT INCLUDED IN THE REFINED MODEL BECAUSE OF A LACK OF RESTRAINTS IN THESE ...詳細: THE STRUCTURE WAS CALCULATED USING 1177 NOE RESTRAINTS AND 75 DIHEDRAL ANGLE RESTRAINTS; RESIDUES 1-3 AND 89-94 WERE NOT INCLUDED IN THE REFINED MODEL BECAUSE OF A LACK OF RESTRAINTS IN THESE PRESUMABLY UNSTRUCTURED REGIONS OF THE PROTEIN.
代表構造
選択基準: fewest violations, 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 least restraint violations, 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