Group: Data collection / カテゴリ: chem_comp_atom / chem_comp_bond
Remark 999
SEQUENCE Author states there are three additional bases on the 5' and 3' ends, which form WC base ...SEQUENCE Author states there are three additional bases on the 5' and 3' ends, which form WC base pairs: 5'-GGA ... UCC-3' DIS loop (AAGCGCGCA) replaced with GAGA tetraloop' Monomeric RNA engineered by replacing the terminal loop with a GAGA tetraloop. Lower stem has an additional three base pairs: 5'GGA...UCC3'. Residues are numbered 1 through 36 in coordinate file although they are numbered differently in article. Internal bulged loop composed of G5 (5' strand), A24, G25, and G26 (3' strand) is structured with a G5-A24 mismatch and G25, G26 stacking under A24.
分子量: 11715.034 Da / 分子数: 1 / 断片: HIV-1 Stem Loop SL1 / 由来タイプ: 合成 詳細: This sequence was synthesized by in vitro transcription using a single stranded DNA template and T7 RNA polymerase.
-
実験情報
-
実験
実験
手法: 溶液NMR
NMR実験
Conditions-ID
Experiment-ID
Solution-ID
タイプ
1
1
1
3D 13C-separated NOESY
1
2
1
4D 13C-separated NOESY
1
3
1
3D 13C-separated ROESY
1
4
2
3D 13C-separated NOESY
1
5
2
4D 13C-separated NOESY
1
6
3
3D 13C-separated NOESY
1
7
3
4D 13C-separated NOESY
2
8
4
IPAP H-COUPLED CT-HSQC
1
9
5
2D NOESY
1
10
5
2D ROESY
NMR実験の詳細
Text: EXPERIMENT 8 (IPAP H-COUPLED CT-HSQC) WAS PERFORMED ON SAMPLE 4 AND SAMPLE 6 (GUA-15N,13C-LABELED SL1 WITH AND WITHOUT PF1 PHAGE). THE DIFFERENCE BETWEEN THE J-COUPLING VALUES = DIPOLAR ...Text: EXPERIMENT 8 (IPAP H-COUPLED CT-HSQC) WAS PERFORMED ON SAMPLE 4 AND SAMPLE 6 (GUA-15N,13C-LABELED SL1 WITH AND WITHOUT PF1 PHAGE). THE DIFFERENCE BETWEEN THE J-COUPLING VALUES = DIPOLAR COUPLING VALUE FOR A GIVEN C-H BOND.
-
試料調製
詳細
Solution-ID
内容
溶媒系
1
1 mM SL1 monomeric RNA, U-15N,13C; 100% D2O
100% D2O
2
1 mM SL1 monomeric RNA, Cyt-15N,13C; 100% D2O
100% D2O
3
1 mM SL1 monomeric RNA, Gua-15N,13C; 100% D2O
100% D2O
4
1 mM SL1 monomeric RNA, Gua-15N,13C; 10 mM Tris-d11, pH 8.0, 0.1 mM EDTA; 18 mg/ml Pf1 bacteriophage (ASLA); 100% D2O
100% D2O
5
1mMSL1monomericRNA, unlabeled; 100% D2O
100% D2O
6
1 mM SL1 monomeric RNA, Gua-15N,13C; 10 mM Tris-d11, pH 8.0, 0.1 mM EDTA; 100% D2O
100% D2O
試料状態
Conditions-ID
pH
圧 (kPa)
温度 (K)
イオン強度
1
7.0
ambient
308K
2
8.0
ambient
308K
10 mM Tris-Cl, 0.1 mM Na-EDTA
結晶化
*PLUS
手法: other / 詳細: NMR
-
NMR測定
放射
プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M
放射波長
相対比: 1
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
600
2
-
解析
NMR software
名称
バージョン
開発者
分類
XwinNMR
2.6
Bruker
collection
NMRPipe
2.1
Delaglio, Grzesiek, Vuister, Zhu, Pfeifer, Bax
解析
NMRView
5.0.3
Johnson, Blevins
データ解析
DYANA
1.5
Guntert, Mumenthaler, Wuthrich
精密化
精密化
手法: TORSION ANGLE DYNAMICS, SIMULATED ANNEALING / ソフトェア番号: 1 詳細: The structures are based on a total of 408 experimental restraints, including 298 NOE-derived distance restraints, 84 hydrogen bond restraints, and 26 dipolar coupling restraints.
代表構造
選択基準: lowest target function
NMRアンサンブル
コンフォーマー選択の基準: target function / 計算したコンフォーマーの数: 600 / 登録したコンフォーマーの数: 20