0.3 mM [U-98% 15N] His_ST-Crl, 50.0 mM Sodium phosphate, 300.0 mM Sodium chloride, 2.0 mM Dithiotreitol, 93% H2O/7% D2O
93% H2O/7% D2O
2
0.25 mM [U-98% 13C; U-98% 15N] His_ST-Crl, 50.0 mM Sodium phosphate, 300.0 mM Sodium chloride, 2.0 mM Dithiotreitol, 93% H2O/7% D2O
93% H2O/7% D2O
3
0.35 mM [U-198% 13C; U-198% 15N] His_ST-Crl, 50.0 mM Sodium phosphate, 300.0 mM Sodium chloride, 2.0 mM Dithiotreitol, 100% D2O
100% D2O
4
0.300 mM [U-100% 13C; U-100% 15N; U-80% 2H] His_ST-Crl, 50.000 mM Sodium phosphate, 300.000 mM Sodium chloride, 2.0 mM Dithiotreitol, 93% H2O/7% D2O
93% H2O/7% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
0.3mM
His_ST-Crl-1
[U-98% 15N]
1
50.0mM
Sodium phosphate-2
1
300.0mM
Sodium chloride-3
1
2.0mM
Dithiotreitol-4
1
0.25mM
His_ST-Crl-5
[U-98% 13C; U-98% 15N]
2
50.0mM
Sodium phosphate-6
2
300.0mM
Sodium chloride-7
2
2.0mM
Dithiotreitol-8
2
0.35mM
His_ST-Crl-9
[U-198% 13C; U-198% 15N]
3
50.0mM
Sodium phosphate-10
3
300.0mM
Sodium chloride-11
3
2.0mM
Dithiotreitol-12
3
0.300mM
His_ST-Crl-13
[U-100% 13C; U-100% 15N; U-80% 2H]
4
50.000mM
Sodium phosphate-14
4
300.000mM
Sodium chloride-15
4
2.0mM
Dithiotreitol-16
4
試料状態
Conditions-ID
イオン強度
pH
圧 (kPa)
温度 (K)
1
0.300
8.000
1.000atm
293.000K
2
0.300
6.500
1.000atm
293.000K
-
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
CcpNmr Analysis
2.2
CCPN
nmrdataanalysis
CYANA
2.2
L.A. Systems
nmrstructurecalculation
NMRPipe
1
NIDDKDNIH
nmrdataprocessing
TALOS-N
1
NIDDKDNIH
dihedralangles
CYANA
精密化
精密化
手法: torsion angle dynamics / ソフトェア番号: 1
NMR constraints
NOE constraints total: 1607 / NOE intraresidue total count: 437 / NOE long range total count: 527 / NOE medium range total count: 238 / NOE sequential total count: 405 / Protein phi angle constraints total count: 105 / Protein psi angle constraints total count: 112
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: 20