1 MM NTRC(1-124) U-15N; 50 MM SODIUM PHOSPHATE, PH 6.75
2
1 MM NTRC(1-124) U-15N/13C; 50 MM SODIUM PHOSPHATE, PH 6.75
3
1 MM NTRC(1-124) U-15N; 50 MM SODIUM PHOSPHATE, PH 6.75
試料状態
イオン強度: 50 mM / pH: 6.75 / 圧: 1 atm / 温度: 298 K
結晶化
*PLUS
手法: other / 詳細: NMR
-
NMR測定
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 DMX
Bruker
DMX
750
2
-
解析
NMR software
名称
バージョン
開発者
分類
DYANA
1.5
PETERGUENTERT
構造決定
Felix
95
MSI
解析
XwinNMR
1.5
BRUKER
collection
DYANA
1.5
PETERGUENTERT
データ解析
XEASY
1.3.13
MUMENTHALER
データ解析
DYANA
1.5
PETERGUENTERT
精密化
精密化
手法: torsion angle dynamics / ソフトェア番号: 1 詳細: STRUCTURE BASED ON A TOTAL OF 1768 UNIQUE DISTANCE CONSTRAINTS (OBTAINED FROM 3044 NOE CROSSPEAKS), INCLUDING 355 INTRARESIDUE, 464 SHORT-RANGE, 445 MEDIUM RANGE AND 504 LONG-RANGE ...詳細: STRUCTURE BASED ON A TOTAL OF 1768 UNIQUE DISTANCE CONSTRAINTS (OBTAINED FROM 3044 NOE CROSSPEAKS), INCLUDING 355 INTRARESIDUE, 464 SHORT-RANGE, 445 MEDIUM RANGE AND 504 LONG-RANGE CONSTRAINTS. DYANA 1.5 ANNEAL COMMAND (10000 STEPS) USED TO GENERATE 40 CONFORMERS. 20 LOWEST TARGET FUNCTION STRUCTURES ANALYZED. CONFORMER 4 CHOSEN FOR DEPOSITION AS CLOSEST TO MEAN COORDINATES OF THE ENSEMBLE.