Text: The structure was determined using triple-resonance NMR spectroscopy
-
試料調製
詳細
内容: 0.7-1.5 mM gS, 25 mM imidazole, pH 6.0, 10 mM KCl, 0.04% NaN3, 25C. Dipolar couplings measured in 2H/15N/13C gammaS, in stretched polyacrylamide gel, and in 3 mg/mL Pf1 (gelled), 120 mM KCl; 90% H2O, 10% D2O 溶媒系: 90% H2O/10% D2O
試料状態
イオン強度: 25 mM imidazole, 10 mM KCl, 0.04% NaN3 / pH: 6 / 圧: 1 atm / 温度: 298 K
-
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: Bruker DRX600 with PFG cryoprobe / 製造業者: Bruker / モデル: DRX600 with PFG cryoprobe / 磁場強度: 600 MHz
-
解析
NMR software
名称
バージョン
開発者
分類
NMRPipe
1
Delaglio, Grzesiek, Zhu, Vuister, Pfeifer, Bax
データ解析
DYNAMO
3.1
Delaglio, Kuszewski
精密化
XPLOR-NIH
2.9.4
Brunger, Schwieters, Kuszewski, Tjandra, Clore
精密化
精密化
手法: MFR, the simulated annealing / ソフトェア番号: 1 詳細: simulated annealing, including a H-bond potential of mean force, consensus homology-based H-bond restraints list; tight backbone torsion angle restraints are derived from a search through the ...詳細: simulated annealing, including a H-bond potential of mean force, consensus homology-based H-bond restraints list; tight backbone torsion angle restraints are derived from a search through the RCSB for fragments that match experimental dipolar couplings.
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: 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: 20