手法: 溶液NMR 詳細: solution nmr structure of the crimean congo hemorrhagic fever cytoplasmic tail
NMR実験
Conditions-ID
Experiment-ID
Solution-ID
タイプ
1
1
1
2D 1H-15N HSQC
1
2
1
3D 1H-15N NOESY
1
3
2
3D HNCA
1
4
2
3D HN(CA)CB
1
5
2
3DHBHA(CO)NH
1
6
2
3DCBCA(CO)NH
1
7
3
3D 1H-13C NOESY
1
8
3
2D 1H-13C HSQC aliphatic
1
9
1
2D 1H-15N HeteroNuclear NOE
-
試料調製
詳細
Solution-ID
内容
溶媒系
1
.7 mM [U-99% 15N] CRIMEAN CONGO GN ZINC FINGER, 20 mM sodium phosphate, 20 mM sodium chloride, 0.1 mM zinc sulfate, 90% H2O/10% D2O
90% H2O/10% D2O
2
.5 mM [U-99% 13C; U-99% 15N] CRIMEAN CONGO GN ZINC FINGER, 20 mM sodium phosphate, 20 mM sodium chloride, 0.1 mM zinc sulfate, 90% H2O/10% D2O
90% H2O/10% D2O
3
.7 mM [U-99% 13C; U-99% 15N] CRIMEAN CONGO GN ZINC FINGER, 20 mM sodium phosphate, 20 mM sodium chloride, 0.1 mM zinc sulfate-12, 100% D2O
100% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
.7mM
CRIMEAN CONGO GN ZINC FINGER-1
[U-99% 15N]
1
20mM
sodium phosphate-2
1
20mM
sodium chloride-3
1
0.1mM
zinc sulfate-4
1
.5mM
CRIMEAN CONGO GN ZINC FINGER-5
[U-99% 13C; U-99% 15N]
2
20mM
sodium phosphate-6
2
20mM
sodium chloride-7
2
0.1mM
zinc sulfate-8
2
.7mM
CRIMEAN CONGO GN ZINC FINGER-9
[U-99% 13C; U-99% 15N]
3
20mM
sodium phosphate-10
3
20mM
sodium chloride-11
3
0.1mM
zinc sulfate-12
3
試料状態
pH: 6.9 / 圧: ambient / 温度: 298 K
-
NMR測定
NMRスペクトロメーター
タイプ: Bruker Avance / 製造業者: Bruker / モデル: AVANCE / 磁場強度: 800 MHz
-
解析
NMR software
名称
バージョン
開発者
分類
CYANA
GuntertP.
精密化
Amber
7
Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, andKollm
精密化
精密化
手法: simulated annealing / ソフトェア番号: 1
NMR constraints
NOE constraints total: 1193 / NOE intraresidue total count: 246 / NOE long range total count: 307 / NOE medium range total count: 233 / NOE sequential total count: 407
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: 20 / 登録したコンフォーマーの数: 1