Text: DNA WAS SYNTHESIZED AS A DOUBLE HAIRPIN, BUT FOR MODELING PURPOSED WAS TREATED AS TWO STRANDS OF DNA; THE HEXAETHYLENE GLYCOL SPACERS WERE NOT INCLUDED IN THE MODELING
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試料調製
詳細
Solution-ID
内容
溶媒系
1
1.25 mM drug-DNA complex; 40 mM sodium phosphate buffer
D2O
2
1.25 mM drug-DNA complex; 40 mM sodium phosphate buffer
90% H2O/10% D2O
試料状態
Conditions-ID
イオン強度
pH
圧 (kPa)
温度 (K)
1
40mMsodiumphosphatebuffer
6.8
ambient
293K
2
40mMsodiumphosphatebuffer
6.8
ambient
278K
結晶化
*PLUS
手法: その他 / 詳細: NMR
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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
Home-built HOME BUILT
Home-built
HOMEBUILT
750
1
Home-built HOME BUILT
Home-built
HOMEBUILT
600
2
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解析
NMR software
名称
バージョン
開発者
分類
Felix
95
MSI
解析
X-PLOR
3.851
Brunger
構造決定
Felix
95
MSI
データ解析
X-PLOR
3.851
Brunger
精密化
精密化
手法: molecular dynamics / ソフトェア番号: 1 詳細: THE STRUCTURES ARE BASED ON 729 NOE-DERIVED DISTANCE CONSTRAINTS AND 96 DIHEDRAL ANGLE RESTRAINTS.