0.5 mM [U-100% 15N] RNA (76-MER), 10 mM sodium phosphate, 80 mM sodium chloride, 5 mM magnesium chloride, 0.1 mM EDTA, 90% H2O/10% D2O
90% H2O/10% D2O
2
0.41 mM [U-100% 15N] RNA (76-MER), 10 mM sodium phosphate, 150 mM sodium chloride, 5 mM magnesium chloride, 0.1 mM EDTA, 100% H2O
100% H2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
0.5mM
RNA (76-MER)
[U-100% 15N]
1
10mM
sodiumphosphate
1
80mM
sodiumchloride
1
5mM
magnesiumchloride
1
0.1mM
EDTA
1
0.41mM
RNA (76-MER)
[U-100% 15N]
2
10mM
sodiumphosphate
2
150mM
sodiumchloride
2
5mM
magnesiumchloride
2
0.1mM
EDTA
2
試料状態
Conditions-ID
イオン強度
pH
圧 (kPa)
温度 (K)
1
0.155
6.8
ambientatm
298K
2
0.225
7.0
ambientatm
298K
-
データ収集
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
800
1
Bruker DMX
Bruker
DMX
500
2
-
解析
NMR software
名称
バージョン
開発者
分類
X-PLOR NIH
2.9.14
Schwieters, Kuszewski, TjandraandClore
精密化
CNS
1
Brunger, Adams, Clore, Gros, NilgesandRead
精密化
精密化
手法: simulated annealing, torsion angle dynamics / ソフトェア番号: 1 詳細: tRNAVal solution structure is obtained by refinement of the tRNAPhe based homology model against RDC data (base N-H RDCs) from Pf1 and self-alignment (MSA), and SAXS data. Totals of 24 Pf1 ...詳細: tRNAVal solution structure is obtained by refinement of the tRNAPhe based homology model against RDC data (base N-H RDCs) from Pf1 and self-alignment (MSA), and SAXS data. Totals of 24 Pf1 RDCs and 20 MSA RDcs were fitted. During the refinement, the local geometry was kept close to the tRNAPhe based homology model using a set of non-crystallographic symmetry restraint terms. The NCS potentials included: 70 sequential i/i+1 terms and 34 additional terms for base pairs and triplets. The experimental SAXS data between q=0.03 and 0.35 A^-1 were fitted as well.
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: 3 / 登録したコンフォーマーの数: 1