20 mM sodium acetate, 50 mM sodium chloride, 0.05 % sodium azide, 1 mM [U-100% 13C; U-100% 15N] FF11, 95% H2O/5% D2O
95% H2O/5% D2O
2
20 mM sodium acetate, 50 mM sodium chloride, 0.05 % sodium azide, 1 mM [U-100% 13C; U-100% 15N] FF11-60 A51L, 95% H2O/5% D2O
95% H2O/5% D2O
3
20 mM 20mM sodium acetate, 50 mM 50 mM sodium chloride, 0.05 % 0.05% sodium azide, 1 mM [U-10% 13C; U-100% 15N] FF11, 95% H2O/5% D2O
95% H2O/5% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
20mM
sodium acetate-1
1
50mM
sodium chloride-2
1
0.05 %
sodium azide-3
1
1mM
FF11-60-4
[U-100% 13C; U-100% 15N]
1
20mM
sodium acetate-5
2
50mM
sodium chloride-6
2
0.05 %
sodium azide-7
2
1mM
FF11-60 A51L-8
[U-100% 13C; U-100% 15N]
2
20mM
20mM sodium acetate-9
3
50mM
50 mM sodium chloride-10
3
0.05 %
0.05% sodium azide-11
3
1mM
FF11-60-12
[U-10% 13C; U-100% 15N]
3
試料状態
イオン強度: 0.070 / pH: 4.8 / 圧: ambient / 温度: 298 K
-
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
Varian INOVA
Varian
INOVA
500
1
Varian INOVA
Varian
INOVA
800
2
-
解析
NMR software
名称
バージョン
開発者
分類
NMRPipe
Delaglio, Grzesiek, Vuister, Zhu, PfeiferandBax
解析
NMRView
5
Johnson, OneMoonScientific
chemicalshiftassignment
X-PLOR NIH
2.23
Schwieters, Kuszewski, TjandraandClore
構造決定
TALOS+
Cornilescu, DelaglioandBax
構造決定
X-PLOR NIH
2.23
Schwieters, Kuszewski, TjandraandClore
精密化
精密化
手法: simulated annealing / ソフトェア番号: 1
NMR constraints
NOE constraints total: 122 / NOE intraresidue total count: 0 / NOE long range total count: 27 / NOE medium range total count: 57 / NOE sequential total count: 37 / Protein chi angle constraints total count: 0 / Protein other angle constraints total count: 0 / Protein phi angle constraints total count: 29 / Protein psi angle constraints total count: 29
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: 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