Text: The structure was determined using triple resonance nmr spectroscopy. Automatic backbone assignments were made using AutoAssign. Automatic NOESY assignments were made using AutoStructure. ...Text: The structure was determined using triple resonance nmr spectroscopy. Automatic backbone assignments were made using AutoAssign. Automatic NOESY assignments were made using AutoStructure. Dihedral angle restraints were made using HYPER and Talos. The SPINS database software was used as an integrating agent.
イオン強度: 100 mM NaCl / pH: 6.5 / 圧: 1 atm / 温度: 293 K
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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
製造業者
モデル
磁場強度 (MHz)
Spectrometer-ID
Varian INOVA
Varian
INOVA
600
1
Bruker AVANCE
Bruker
AVANCE
500
2
Bruker
800
3
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解析
NMR software
名称
バージョン
開発者
分類
X-PLOR
2.9.7
Brunger
構造決定
NMRPipe
2.1
Delaglio
解析
AutoAssign
1.14
Zimmerman, Moseley, Montelione
データ解析
AutoStructure
2
Huang, Montelione
データ解析
SPINS
5
Baran, Montelione
データ解析
HYPER
3.2
Tejero, Montelione
データ解析
Sparky
3.106
Goddard
データ解析
VNMR
6.1
varian
collection
xwin-nmr
Bruker
collection
X-PLOR
2.9.7
Brunger
精密化
精密化
手法: simulated annealing / ソフトェア番号: 1 詳細: The structure is based on a total of 1311 conformationally restricting non-derived distance restraints. The structure contains 14.9 restraints per residue, with 3.5 long range restraints per ...詳細: The structure is based on a total of 1311 conformationally restricting non-derived distance restraints. The structure contains 14.9 restraints per residue, with 3.5 long range restraints per residue. Structure determination was performed iteratively using AutoStructure.
代表構造
選択基準: lowest energy
NMRアンサンブル
コンフォーマー選択の基準: structures with the lowest energy 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: 10