溶液NMR / ARIA protocol (Nilges, M. et al., (1997) J. Mol. Biol. 269, 408-422) was used to deal with ambiguous distance restraints, for some NOE assignments.
#1: ジャーナル: Mol.Microbiol. / 年: 2000 タイトル: The partition system of multidrug resistance plasmid TP228 includes a novel protein that epitomizes an evolutionarily distinct subgroup of the ParA superfamily 著者: Hayes, F.
Text: BEST REPRESENTATIVE CONFORMER (MODEL 1) IN THIS ENSEMBLE WAS OBTAINED BY ENERGY MINIMIZATION OF THE AVERAGE STRUCTURE, CALCULATED FOR MODELS 2-11
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試料調製
詳細
Solution-ID
内容
溶媒系
1
1 mM ParG U-15N,13C; 100 mM NaCl, 50 mM phosphate buffer, 1 mM DTT; 90% H2O, 10% D2O
90% H2O/10% D2O
2
1 mM ParG U-15N; 100 mM NaCl, 50 mM phosphate buffer, 1 mM DTT; 100% D2O
100% D2O
3
1 mM ParG U-15N; 100 mM NaCl, 50 mM phosphate buffer, 1 mM DTT; 90% H2O, 10% D2O
90% H2O/10% D2O
試料状態
イオン強度: 150 mM / pH: 5.5 / 圧: ambient / 温度: 293 K
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
Bruker DRX
Bruker
DRX
600
1
Bruker DRX
Bruker
DRX
800
2
Varian INOVA
Varian
INOVA
800
3
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解析
NMR software
名称
バージョン
開発者
分類
NMRPipe
Delaglioetal.
解析
NMRView
5.01
JohnsonandBlevins
データ解析
ARIA
1.1
Nilgesetal.
構造決定
CNS
1
Brungeretal.
構造決定
CNS
1
Brungeretal.
精密化
精密化
手法: ARIA protocol (Nilges, M. et al., (1997) J. Mol. Biol. 269, 408-422) was used to deal with ambiguous distance restraints, for some NOE assignments. ソフトェア番号: 1 詳細: The ParG structure is based on 2230 ambiguous NOE restraints, 82 hydrogen bond restraints, and 144 CSI-based dihedral angle restraints. N-terminal region of ParG (1-32) is unstructured. The C- ...詳細: The ParG structure is based on 2230 ambiguous NOE restraints, 82 hydrogen bond restraints, and 144 CSI-based dihedral angle restraints. N-terminal region of ParG (1-32) is unstructured. The C-terminal region (33-76) is structured.
代表構造
選択基準: minimized average structure
NMRアンサンブル
コンフォーマー選択の基準: structures with the lowest energy,target function 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: 11