内容: 0.25 mM [U-100% 13C; U-100% 15N] protein, 5 mM sodium acetate, 1.5 % LDAO, 0.1 mM DSS, 5 % [U-100% 2H] D2O, 10 mM sodium chloride, 20 mM beta-mercaptoethanol, 95% H2O/5% D2O 溶媒系: 95% H2O/5% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
0.25mM
entity-1
[U-100% 13C; U-100% 15N]
1
5mM
sodium acetate-2
1
1.5 %
LDAO-3
1
0.1mM
DSS-4
1
5 %
D2O-5
[U-100% 2H]
1
10mM
sodium chloride-6
1
20mM
beta-mercaptoethanol-7
1
試料状態
pH: 4.65 / 圧: ambient / 温度: 318 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
700
2
Bruker Avance
Bruker
AVANCE
800
3
Bruker Avance
Bruker
AVANCE
900
4
-
解析
NMR software
名称
バージョン
開発者
分類
CYANA
3
Guntert, MumenthalerandWuthrich
構造決定
CYANA
3
Guntert, MumenthalerandWuthrich
精密化
精密化
手法: simulated annealing / ソフトェア番号: 1
NMR constraints
NOE constraints total: 766 / NOE intraresidue total count: 328 / NOE long range total count: 35 / NOE medium range total count: 114 / NOE sequential total count: 289 / Hydrogen bond constraints total count: 292 / Protein chi angle constraints total count: 0 / Protein other angle constraints total count: 0 / Protein phi angle constraints total count: 92 / Protein psi angle constraints total count: 92
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