内容: 1 mM [U-13C; U-15N] protein, 0.04 mM potassium chloride, 0.02 mM potassium phosphate, 1 mM sodium azide, 95% H2O/5% D2O 溶媒系: 95% H2O/5% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
1mM
protein-1
[U-13C; U-15N]
1
0.04mM
potassium chloride-2
1
0.02mM
potassium phosphate-3
1
1mM
sodium azide-4
1
試料状態
イオン強度: 0.16 / pH: 6.5 / 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
Bruker Avance
Bruker
AVANCE
850
1
Bruker Avance
Bruker
AVANCE
700
2
-
解析
NMR software
名称
バージョン
開発者
分類
X-PLOR NIH
2.37
Schwieters, C. etal.
構造決定
NMRPipe
7.5
Delaglio, Grzesiek, Vuister, Zhu, PfeiferandBax
解析
Sparky
3.113
Goddard
peakpicking
Sparky
3.113
Goddard
chemicalshiftassignment
TALOS
3.80F1
Cornilescu, DelaglioandBax
geometryoptimization
TopSpin
3.1
BrukerBiospin
collection
X-PLOR NIH
2.37
Schwieters, C. etal.
精密化
精密化
手法: torsion angle dynamics / ソフトェア番号: 1
NMR constraints
NOE constraints total: 1431 / NOE intraresidue total count: 183 / NOE long range total count: 404 / NOE medium range total count: 331 / NOE sequential total count: 513 / Protein chi angle constraints total count: 0 / Protein other angle constraints total count: 0 / Protein phi angle constraints total count: 37 / Protein psi angle constraints total count: 37
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 / Maximum upper distance constraint violation: 0.66 Å