溶液NMR / 100 structures were calculated by CYANA 2.0 using 2667 NOE-derived distance constraints, 121 dihedral angle constraints, and 50 distance constraints from hydrogen bonds. The 20 structures with lowest target functions were subjected to refinement with CNS 1.1.
イオン強度: 300 mM NaCl / pH: 5.0 / 圧: ambient / 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
製造業者
モデル
磁場強度 (MHz)
Spectrometer-ID
Bruker AVANCE
Bruker
AVANCE
500
1
Bruker AVANCE
Bruker
AVANCE
600
2
-
解析
NMR software
名称
バージョン
開発者
分類
XwinNMR
3.6
BrukerBiospin, Inc.
collection
NMRPipe
2.1
Delaglio, F.
解析
CYANA
2
Guentert, P. etal.
構造決定
CNS
1.1
Brunger, A. etal.
精密化
精密化
手法: 100 structures were calculated by CYANA 2.0 using 2667 NOE-derived distance constraints, 121 dihedral angle constraints, and 50 distance constraints from hydrogen bonds. The 20 structures ...手法: 100 structures were calculated by CYANA 2.0 using 2667 NOE-derived distance constraints, 121 dihedral angle constraints, and 50 distance constraints from hydrogen bonds. The 20 structures with lowest target functions were subjected to refinement with CNS 1.1. 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: 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