1 mM RNA (48-MER), 10 mM TRIS, 0.5 mM Magnesium Chloride, 90% H2O/10% D2O
90% H2O/10% D2O
2
1 mM RNA (48-MER), 10 mM TRIS, 0.5 mM Magnesium Chloride, 100% D2O
100% D2O
3
1 mM [U-98% 13C; U-98% 15N]-Ade,Uri RNA (48-MER), 10 mM TRIS, 0.5 mM Magnesium Chloride, 90% H2O/10% D2O
90% H2O/10% D2O
4
1 mM [U-98% 13C; U-98% 15N]-Ade,Uri RNA (48-MER), 10 mM TRIS, 0.5 mM Magnesium Chloride, 100% D2O
100% D2O
5
1 mM [U-98% 13C; U-98% 15N]-Cyt,Gua RNA (48-MER), 10 mM TRIS, 0.5 mM Magnesium Chloride, 90% H2O/10% D2O
90% H2O/10% D2O
6
1 mM [U-98% 13C; U-98% 15N]-Cyt,Gua RNA (48-MER), 10 mM TRIS, 0.5 mM Magnesium Chloride, 100% D2O
100% D2O
7
1 mM [U-98% 13C; U-98% 15N]-Ade,Uri,Cyt,Gua RNA (48-MER), 10 mM TRIS, 0.5 mM Magnesium Chloride, 90% H2O/10% D2O
90% H2O/10% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
1mM
RNA (48-MER)-1
1
10mM
TRIS-2
1
0.5mM
Magnesium Chloride-3
1
1mM
RNA (48-MER)-4
2
10mM
TRIS-5
2
0.5mM
Magnesium Chloride-6
2
1mM
RNA (48-MER)-7
[U-98% 13C; U-98% 15N]-Ade,Uri
3
10mM
TRIS-8
3
0.5mM
Magnesium Chloride-9
3
1mM
RNA (48-MER)-10
[U-98% 13C; U-98% 15N]-Ade,Uri
4
10mM
TRIS-11
4
0.5mM
Magnesium Chloride-12
4
1mM
RNA (48-MER)-13
[U-98% 13C; U-98% 15N]-Cyt,Gua
5
10mM
TRIS-14
5
0.5mM
Magnesium Chloride-15
5
1mM
RNA (48-MER)-16
[U-98% 13C; U-98% 15N]-Cyt,Gua
6
10mM
TRIS-17
6
0.5mM
Magnesium Chloride-18
6
1mM
RNA (48-MER)-19
[U-98% 13C; U-98% 15N]-Ade,Uri,Cyt,Gua
7
10mM
TRIS-20
7
0.5mM
Magnesium Chloride-21
7
試料状態
Conditions-ID
イオン強度
pH
圧 (kPa)
温度 (K)
1
10
6.3
ambient
283K
2
10
6.3
ambient
298K
-
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 DRX
Bruker
DRX
600
2
Bruker DRX
Bruker
DRX
500
3
Bruker DRX
Bruker
DRX
500
4
-
解析
NMR software
名称
開発者
分類
X-PLOR NIH
Schwieters, Kuszewski, TjandraandClore
構造決定
X-PLOR NIH
Schwieters, Kuszewski, TjandraandClore
精密化
MOLMOL
Koradi, BilleterandWuthrich
データ解析
MOLMOL
Koradi, BilleterandWuthrich
構造決定
NMRDraw
Delaglio, Grzesiek, Vuister, Zhu, PfeiferandBax
chemicalshiftcalculation
NMRDraw
Delaglio, Grzesiek, Vuister, Zhu, PfeiferandBax
データ解析
NMRDraw
Delaglio, Grzesiek, Vuister, Zhu, PfeiferandBax
peakpicking
Sparky
Goddard
chemicalshiftassignment
Sparky
Goddard
データ解析
Sparky
Goddard
peakpicking
XwinNMR
BrukerBiospin
chemicalshiftassignment
XwinNMR
BrukerBiospin
データ解析
XwinNMR
BrukerBiospin
解析
TopSpin
BrukerBiospin
chemicalshiftassignment
TopSpin
BrukerBiospin
データ解析
TopSpin
BrukerBiospin
解析
精密化
手法: simulated annealing / ソフトェア番号: 1
NMR constraints
NOE constraints total: 1027 / NOE intraresidue total count: 380 / NOE long range total count: 287 / NOE medium range total count: 18 / NOE sequential total count: 342
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: 20