Group: Data collection / カテゴリ: chem_comp_atom / chem_comp_bond
Remark 999
SEQUENCE Position 35 in U2 snRNA sequences from S. cerevisiae is a pseudouridine. This corresponds ...SEQUENCE Position 35 in U2 snRNA sequences from S. cerevisiae is a pseudouridine. This corresponds to position 5 on strand A, which is a uridine in 1LMV, and a pseudouridine in 1LPW.
lowest energy structures that did not violate data from fluorescence experiments
代表モデル
モデル #2
lowest energy structure that agreed best with experimental data
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要素
#1: RNA鎖
5'-R(*GP*GP*UP*GP*(PSU)P*AP*GP*UP*A)-3'
分子量: 2912.775 Da / 分子数: 1 / 由来タイプ: 天然 / 詳細: U2 snRNA / 由来: (天然) Saccharomyces cerevisiae (パン酵母)
#2: RNA鎖
5'-R(*UP*AP*CP*UP*AP*AP*CP*AP*CP*C)-3'
分子量: 3104.925 Da / 分子数: 1 / 由来タイプ: 天然 / 詳細: pre-mRNA conserved intron branch site sequence site / 由来: (天然) Saccharomyces cerevisiae (パン酵母)
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実験情報
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実験
実験
手法: 溶液NMR
NMR実験
Conditions-ID
Experiment-ID
Solution-ID
タイプ
1
1
1
2D NOESY
2
2
2
2D NOESY
2
3
2
2D TOCSY
2
4
2
DQF-COSY
NMR実験の詳細
Text: This structure was determined using standard 2D homonuclear techniques. NOESY spectra were collected at many different mixing times, so that the buildup of certain NOEs could be observed to ...Text: This structure was determined using standard 2D homonuclear techniques. NOESY spectra were collected at many different mixing times, so that the buildup of certain NOEs could be observed to resolve some spectral overlap.
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試料調製
詳細
Solution-ID
内容
溶媒系
1
1mM U2 snRNA-intron duplex; 10mM sodium phosphate
90% H2O/10% D2O
2
1mM U2 snRNA-intron duplex; 10mM sodium phosphate
100% D2O
試料状態
Conditions-ID
イオン強度
pH
圧 (kPa)
温度 (K)
1
50mMsodiumchloride
6.4
ambient
278K
2
50mMsodiumchloride
6.4
ambient
293K
結晶化
*PLUS
手法: other / 詳細: NMR
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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
Varian UNITYPLUS
Varian
UNITYPLUS
720
1
Varian UNITYPLUS
Varian
UNITYPLUS
720
2
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解析
NMR software
名称
バージョン
開発者
分類
VNMR
5.3
Varian, Inc.
collection
Sparky
3.69
T.D. GoddardandD.G. Kneller
データ解析
VNMR
3.851
AxelBrunger
構造決定
X-PLOR
3.851
Brunger
精密化
精密化
手法: torsion angle molecular dynamics, conjugate gradient minimization ソフトェア番号: 1 詳細: A total of 191 distance restraints were used, not including the 40 hydrogen bond distances imposed. Including the 133 dihedral restraints applied in structure calculations, 353 total restraints were applied.
代表構造
選択基準: lowest energy structure that agreed best with experimental data
NMRアンサンブル
コンフォーマー選択の基準: lowest energy structures that did not violate data from fluorescence experiments 計算したコンフォーマーの数: 800 / 登録したコンフォーマーの数: 9