1 mM Sigma-54-DNA (U-15N U-13C) complex; 250 mM NaCl; 10 mM deuterated-HEPES, pH 6.9; 1 mM EDTA; 100% D2O
100% D2O
2
1 mM Sigma-54-DNA (U-15N U-13C) complex; 250 mM NaCl; 10 mM HEPES, pH 6.9; 1 mM EDTA; 90% H2O; 10% D2O
90% H2O/10% D2O
3
1 mM Sigma-54-DNA (U-15N) complex; 250 mM NaCl; 10 mM HEPES, pH 6.9; 1 mM EDTA; 90% H2O; 10% D2O
90% H2O/10% D2O
試料状態
Conditions-ID
イオン強度
pH
圧 (kPa)
温度 (K)
1
250mMNaCl
6.9
ambient
318K
2
250mMNaCl
6.9
ambient
303K
3
250mMNaCl
6.9
ambient
303K
-
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 DMX
Bruker
DMX
600
1
Bruker AVANCE
Bruker
AVANCE
600
2
Bruker AVANCE
Bruker
AVANCE
800
3
-
解析
NMR software
名称
バージョン
開発者
分類
NMRPipe
2.3
Delaglioetal. 1995
解析
NMRView
5.0.4
JohnsonandBlevins. 1994
データ解析
CYANA
2.1
Guntert. 2004
構造決定
X-PLOR
2.14
Schwietersetal. 2003
精密化
Amber
7
Caseetal. 2002
精密化
精密化
手法: simulated annealing / ソフトェア番号: 1 詳細: The 20-structure ensemble refined with XPLOR-NIH (PDB ID: 2O8K) were then subjected to 20 ps of simulated annealing using the SANDER module of AMBER 7.0 with the 1994 force field (ff94) and ...詳細: The 20-structure ensemble refined with XPLOR-NIH (PDB ID: 2O8K) were then subjected to 20 ps of simulated annealing using the SANDER module of AMBER 7.0 with the 1994 force field (ff94) and the generalized Born solvent model. First, 0.5 ps of energy minimization was performed. Then simulated annealing was run from 300K to 0K using NMR distant and dihedral restraints, as well as a distance dependent dielectric and a nonbonding cutoff of 15A.
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: all calculated structures submitted 計算したコンフォーマーの数: 20 / 登録したコンフォーマーの数: 19