内容: 1 mM [U-100% 13C; U-100% 15N] MvaT, 50 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% D2O 溶媒系: 90% H2O/10% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
1mM
MvaT-1
[U-100% 13C; U-100% 15N]
1
50mM
sodium phosphate-2
1
50mM
sodium chloride-3
1
試料状態
イオン強度: 0.1 / pH: 6 / 圧: ambient / 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
800
1
Bruker Avance
Bruker
AVANCE
600
2
-
解析
NMR software
名称: Amber 開発者: Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman 分類: 精密化
精密化
手法: simulated annealing / ソフトェア番号: 1
NMR constraints
NOE constraints total: 1820 / NOE intraresidue total count: 557 / NOE long range total count: 242 / NOE medium range total count: 177 / NOE sequential total count: 299 / Protein chi angle constraints total count: 7 / Protein other angle constraints total count: 8 / Protein phi angle constraints total count: 32 / Protein psi angle constraints total count: 32
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 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