Text: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY.
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試料調製
詳細
内容: 1 mM At3g17210 U-15N,13C, 20 MM SODIUM PHOSPHATE BUFFER, 50 MM SODIUM CHLORIDE, 90% H20, 10% D2O 溶媒系: 90% H20, 10% D2O
試料状態
イオン強度: 50 mM SODIUM CHLORIDE / pH: 6.5 / 圧: AMBIENT / 温度: 298 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 / 散乱光タイプ: x-ray
放射波長
相対比: 1
NMRスペクトロメーター
タイプ: Bruker DMX / 製造業者: Bruker / モデル: DMX / 磁場強度: 600 MHz
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解析
NMR software
名称
バージョン
開発者
分類
CYANA
1.0.6
HERRMANN, T., GUENTERT, P.,
精密化
XwinNMR
3
構造決定
NMRPipe
97.027.12.56
構造決定
XEASY
1.4
構造決定
CYANA
1.0.6
構造決定
精密化
手法: torsion angle dynamics / ソフトェア番号: 1 詳細: INITIAL STRUCTURES WERE GENERATED USING THE CANDID MODULE OF THE TORSION ANGLE DYNAMICS PROGRAM CYANA. ADDITIONAL NOE ASSIGNMENTS WERE DETERMINED MANUALLY AND PEAK INTENSITIES WERE CONVERTED ...詳細: INITIAL STRUCTURES WERE GENERATED USING THE CANDID MODULE OF THE TORSION ANGLE DYNAMICS PROGRAM CYANA. ADDITIONAL NOE ASSIGNMENTS WERE DETERMINED MANUALLY AND PEAK INTENSITIES WERE CONVERTED INTO UPPER DISTANCE BOUNDS WITH THE CALIBA FUNCTION OF CYANA. THE FINAL STRUCTURES WERE BASED ON THE FOLLOWING RESTRAINTS (FOR EACH MONOMER): 2001 NON-TRIVIAL NOE DISTANCE CONSTRAINTS (1831 INTRAMOLECULAR AND 170 INTERMOLECULAR) AND 141 PHI AND PSI TORSION ANGLE CONSTRAINTS GENERATED FROM CHEMICAL SHIFT DATABASE SEARCHING USING THE PROGRAM TALOS.
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: LOWEST TARGET FUNCTION 計算したコンフォーマーの数: 100 / 登録したコンフォーマーの数: 20