back calculated data agree with experimental NOESY spectrum, structures with acceptable covalent geometry, structures with favorable non-bond energy, structures with the least restraint violations, structures with the lowest energy, target function
Text: The structure was determined using triple-resonance NMR spectroscopy.
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試料調製
詳細
内容: 0.7 millimolar protein concentration 溶媒系: 10 mM Imidazole, 10 mM calcium chloride, 1 mM dithiothreitol, 20 mM octylglucoside
試料状態
イオン強度: 0.05 / pH: 6.7 / 圧: ambient / 温度: 310 K
結晶化
*PLUS
手法: other / 詳細: NMR
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NMR測定
NMRスペクトロメーター
タイプ: Bruker DRX / 製造業者: Bruker / モデル: DRX / 磁場強度: 600 MHz
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解析
ソフトウェア
名称: X-PLOR / バージョン: 3.1 / 分類: 精密化
NMR software
名称
バージョン
開発者
分類
X-PLOR
3
Brunger
構造決定
X-PLOR
3.1
BRUNGER
精密化
精密化
手法: simulated annealing / ソフトェア番号: 1
代表構造
選択基準: closest to the average
NMRアンサンブル
コンフォーマー選択の基準: back calculated data agree with experimental NOESY spectrum, structures with acceptable covalent geometry, structures with favorable non-bond energy, structures ...コンフォーマー選択の基準: back calculated data agree with experimental NOESY spectrum, structures with acceptable covalent geometry, structures with favorable non-bond energy, structures with the least restraint violations, structures with the lowest energy, target function 計算したコンフォーマーの数: 40 / 登録したコンフォーマーの数: 20