1.2 mM RNA (59-MER), 2 mM 7-DEAZA-7-AMINOMETHYL-GUANINE, 60 mM potassium chloride, 3 mM calcium chloride, 90% H2O/10% D2O
90% H2O/10% D2O
2
1.2 mM RNA (59-MER), 60 mM potassium chloride, 3 mM calcium chloride, 2 mM 7-DEAZA-7-AMINOMETHYL-GUANINE, 100% D2O
100% D2O
3
1 mM (U-50%)-2H RNA (59-MER), 60 mM potassium chloride, 3 mM calcium Chloride, 2 mM 7-DEAZA-7-AMINOMETHYL-GUANINE, 100% D2O
100% D2O
4
1.2 mM [U-13C; U-15N]-Ade RNA (59-MER), 60 mM potassium chloride, 3 mM calcium chloride, 2 mM 7-DEAZA-7-AMINOMETHYL-GUANINE, 100% D2O
100% D2O
5
1.2 mM [U-13C; U-15N]-Gua RNA (59-MER), 60 mM potassium chloride, 3 mM calcium chloride, 2 mM 7-DEAZA-7-AMINOMETHYL-GUANINE, 100% D2O
100% D2O
6
1.2 mM [U-13C; U-15N]-Cyt RNA (59-MER), 60 mM potassium chloride, 3 mM calcium chloride, 2 mM 7-DEAZA-7-AMINOMETHYL-GUANINE, 100% D2O
100% D2O
7
1.2 mM [U-13C; U-15N]-Ura RNA (59-MER), 60 mM potassium chloride, 3 mM calcium chloride, 2 mM 7-DEAZA-7-AMINOMETHYL-GUANINE, 100% D2O
100% D2O
8
1.2 mM [U-100% 13C; U-100% 15N] RNA (59-MER), 60 mM potassium chloride, 3 mM calcium chloride, 2 mM 7-DEAZA-7-AMINOMETHYL-GUANINE, 90% H2O/10% D2O
90% H2O/10% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
1.2mM
RNA (59-MER)-1
1
2mM
7-DEAZA-7-AMINOMETHYL-GUANINE-2
1
60mM
potassium chloride-3
1
3mM
calcium chloride-4
1
1.2mM
RNA (59-MER)-5
2
60mM
potassium chloride-6
2
3mM
calcium chloride-7
2
2mM
7-DEAZA-7-AMINOMETHYL-GUANINE-8
2
1mM
RNA (59-MER)-9
(U-50%)-2H
3
60mM
potassium chloride-10
3
3mM
calcium Chloride-11
3
2mM
7-DEAZA-7-AMINOMETHYL-GUANINE-12
3
1.2mM
RNA (59-MER)-13
[U-13C; U-15N]-Ade
4
60mM
potassium chloride-14
4
3mM
calcium chloride-15
4
2mM
7-DEAZA-7-AMINOMETHYL-GUANINE-16
4
1.2mM
RNA (59-MER)-17
[U-13C; U-15N]-Gua
5
60mM
potassium chloride-18
5
3mM
calcium chloride-19
5
2mM
7-DEAZA-7-AMINOMETHYL-GUANINE-20
5
1.2mM
RNA (59-MER)-21
[U-13C; U-15N]-Cyt
6
60mM
potassium chloride-22
6
3mM
calcium chloride-23
6
2mM
7-DEAZA-7-AMINOMETHYL-GUANINE-24
6
1.2mM
RNA (59-MER)-25
[U-13C; U-15N]-Ura
7
60mM
potassium chloride-26
7
3mM
calcium chloride-27
7
2mM
7-DEAZA-7-AMINOMETHYL-GUANINE-28
7
1.2mM
RNA (59-MER)-29
[U-100% 13C; U-100% 15N]
8
60mM
potassium chloride-30
8
3mM
calcium chloride-31
8
2mM
7-DEAZA-7-AMINOMETHYL-GUANINE-32
8
試料状態
Conditions-ID
イオン強度
pH
圧 (kPa)
温度 (K)
1
66
6-6.3
ambient
300K
2
66
6-6.3
ambient
310K
-
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 DRX
Bruker
DRX
600
1
Bruker Avance
Bruker
AVANCE
800
2
-
解析
NMR software
名称
開発者
分類
Sparky
Goddard
データ解析
Sparky
Goddard
chemicalshiftassignment
XwinNMR
BrukerBiospin
collection
XwinNMR
BrukerBiospin
解析
TopSpin
BrukerBiospin
collection
TopSpin
BrukerBiospin
解析
X-PLOR NIH
Schwieters, Kuszewski, TjandraandClore
構造決定
X-PLOR NIH
Schwieters, Kuszewski, TjandraandClore
精密化
NMRDraw
Johnson, OneMoonScientific
peakpicking
Insight II
AccelrysSoftwareInc.
データ解析
精密化
手法: simulated annealing / ソフトェア番号: 1
NMR constraints
NA sugar pucker constraints total count: 59 / NOE constraints total: 866 / NOE intraresidue total count: 306 / NOE long range total count: 44 / NOE medium range total count: 190 / NOE sequential total count: 326
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: 200 / 登録したコンフォーマーの数: 18