750 uM [U-100% 13C; U-100% 15N] U-box domain of E4B, 90% H2O/10% D2O
90% H2O/10% D2O
2
1 mM U-box domain of E4B, 90% H2O/10% D2O
90% H2O/10% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
750uM
U-box domain of E4B-1
[U-100% 13C; U-100% 15N]
1
1mM
U-box domain of E4B-2
2
試料状態
イオン強度: 25 / pH: 6.5 / 圧: ambient atm / 温度: 298 K
-
NMR測定
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
600
1
Bruker Avance
Bruker
AVANCE
800
2
-
解析
NMR software
名称
バージョン
開発者
分類
NMRPipe
2009.015.15.35
Delaglio, Grzesiek, Vuister, Zhu, PfeiferandBax
解析
Sparky
3.113
Goddard
chemicalshiftassignment
Sparky
3.113
Goddard
peakpicking
CYANA
2..1
Guntert, MumenthalerandWuthrich
構造決定
Amber
9
Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... andKollm
精密化
精密化
手法: simulated annealing, molecular dynamics / ソフトェア番号: 1 詳細: Computed through AMBER9 in water, Computed through AMBER9 in water. Single residues in some models have phi-psi angle combinations that are outside the norm. These are found only for residues ...詳細: Computed through AMBER9 in water, Computed through AMBER9 in water. Single residues in some models have phi-psi angle combinations that are outside the norm. These are found only for residues that lack experimental constraints and which are therefore poorly defined in the structure.
代表構造
選択基準: closest to the average
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: 100 / 登録したコンフォーマーの数: 20