溶液NMR / Distance restraints were obtained from relaxation rate matrix calculations. Structures were calculated using simulated annealing, molecular dynamics
structures with acceptable covalent geometry,structures with favorable non- bond energy,structures with the least restraint violations,structures with the lowest energy
代表モデル
モデル #6
fewest violations
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要素
#1: DNA鎖
DNA
分子量: 6729.329 Da / 分子数: 1 / 由来タイプ: 合成 詳細: Sequence is derived from in-vitro selection experiments. Sequences were chemically sythethesized.
Text: Data were also collected for sequences containing 5-methyl cytosine substituted independently at positions 15 and 16, and for the sequence with inosine substituted at postion 14.
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試料調製
詳細
Solution-ID
内容
溶媒系
1
1.44 mM DNA, 10 mM sodium phosphate buffer, pH 6.2, 0.05 mM EDTA, 0-25 mM NaCl, 8-10 equivalents argininamide
99.99% D2O
2
1.44 mM DNA, 10 mM sodium phosphate buffer, pH 6.2, 0.05 mM EDTA, 0-25 mM NaCl, 8-10 equivalents argininamide
手法: Distance restraints were obtained from relaxation rate matrix calculations. Structures were calculated using simulated annealing, molecular dynamics ソフトェア番号: 1
代表構造
選択基準: fewest violations
NMRアンサンブル
コンフォーマー選択の基準: structures with acceptable covalent geometry,structures with favorable non- bond energy,structures with the least restraint violations,structures with the lowest energy 計算したコンフォーマーの数: 30 / 登録したコンフォーマーの数: 10