0.4-1 mM [U-99% 15N] entity_1, 20 mM potassium phosphate, 50 mM potassium chloride, 2.5 mM DTT, 0-2 mM EDTA, 0-4.5 mM S-adenosyl-L-homocysteine, 90% H2O/10% D2O
90% H2O/10% D2O
2
0.8 mM [U-99% 13C; U-99% 15N] entity_1, 20 mM potassium phosphate, 50 mM potassium chloride, 2.5 mM DTT, 0-2 mM EDTA, 0-4.5 mM S-adenosyl-L-homocysteine, 90% H2O/10% D2O
90% H2O/10% D2O
3
0.5-1 mM [U-99% 13C; U-99% 15N; 80% 2H] entity_1, 20 mM potassium phosphate, 50 mM potassium chloride, 2.5 mM DTT, 1-2 mM EDTA, 0-4.5 mM S-adenosyl-L-homocysteine, 90% H2O/10% D2O
90% H2O/10% D2O
4
0.9 mM [U-99% 15N; 80% 2H] entity_1, 20 mM potassium phosphate, 50 mM potassium chloride, 2.5 mM DTT, 1-2 mM EDTA, 4.5 mM S-adenosyl-L-homocysteine, 90% H2O/10% D2O
90% H2O/10% D2O
試料
濃度 (mg/ml)
単位
構成要素
Isotopic labeling
Conc. range (mg/ml)
Solution-ID
mM
entity_1
[U-99% 15N]
0.4-1
1
20mM
potassiumphosphate
1
50mM
potassiumchloride
1
2.5mM
DTT
1
mM
EDTA
0-2
1
mM
S-adenosyl-L-homocysteine
0-4.5
1
0.8mM
entity_1
[U-99% 13C; U-99% 15N]
2
20mM
potassiumphosphate
2
50mM
potassiumchloride
2
2.5mM
DTT
2
mM
EDTA
0-2
2
mM
S-adenosyl-L-homocysteine
0-4.5
2
mM
entity_1
[U-99% 13C; U-99% 15N; 80% 2H]
0.5-1
3
20mM
potassiumphosphate
3
50mM
potassiumchloride
3
2.5mM
DTT
3
mM
EDTA
1-2
3
mM
S-adenosyl-L-homocysteine
0-4.5
3
0.9mM
entity_1
[U-99% 15N; 80% 2H]
4
20mM
potassiumphosphate
4
50mM
potassiumchloride
4
2.5mM
DTT
4
mM
EDTA
1-2
4
4.5mM
S-adenosyl-L-homocysteine
4
試料状態
イオン強度: 0.082 / pH: 6.8 / 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
600
1
Varian INOVA
Varian
INOVA
600
2
Varian INOVA
Varian
INOVA
750
3
-
解析
NMR software
名称
バージョン
開発者
分類
Felix
AccelrysSoftwareInc.
chemicalshiftassignment
Felix
AccelrysSoftwareInc.
データ解析
Felix
AccelrysSoftwareInc.
解析
ARIA
1.2
Linge, O'DonoghueandNilges
構造決定
X-PLOR NIH
2.13
Schwieters, Kuszewski, TjandraandClore
精密化
精密化
手法: torsion angle dynamics / ソフトェア番号: 1
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: 40 / 登録したコンフォーマーの数: 16