1 mM [U-100% 15N] Af1503 HAMP (A921F), 20 mM phosphate buffer, 150 mM sodium chloride, 90% H2O/10% D2O
90% H2O/10% D2O
3
0.5 mM [U-100% 13C; U-100% 15N] Af1503 HAMP (A921F), 0.5 mM Af1503 HAMP (A921F), 20 mM phosphate buffer, 150 mM sodium chloride, 90% H2O/10% D2O
90% H2O/10% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
1mM
Af1503 HAMP (A921F)-1
1
20mM
phosphate buffer-2
1
150mM
sodium chloride-3
1
1mM
Af1503 HAMP (A921F)-4
[U-100% 15N]
2
20mM
phosphate buffer-5
2
150mM
sodium chloride-6
2
0.5mM
Af1503 HAMP (A921F)-7
[U-100% 13C; U-100% 15N]
3
0.5mM
Af1503 HAMP (A921F)-8
3
20mM
phosphate buffer-9
3
150mM
sodium chloride-10
3
試料状態
イオン強度: 150 / pH: 7.2 / 圧: ambient / 温度: 308 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
600
1
Bruker Avance
Bruker
AVANCE
900
2
-
解析
NMR software
名称
バージョン
開発者
分類
Sparky
3.11
Goddard
データ解析
TopSpin
2
BrukerBiospin
collection
TopSpin
2
BrukerBiospin
解析
X-PLOR NIH
2.9.7
Schwieters, Kuszewski, TjandraandClore
構造決定
X-PLOR NIH
2.9.7
Schwieters, Kuszewski, TjandraandClore
精密化
精密化
手法: simulated annealing / ソフトェア番号: 1 詳細: Refinement against a conformational database potential
NMR constraints
NOE constraints total: 874 / NOE intraresidue total count: 166 / NOE long range total count: 158 / NOE medium range total count: 212 / NOE sequential total count: 262 / Protein chi angle constraints total count: 70 / Protein other angle constraints total count: 28 / Protein phi angle constraints total count: 114 / Protein psi angle constraints total count: 108
代表構造
選択基準: minimized average
NMRアンサンブル
コンフォーマー選択の基準: structures with the least restraint violations 計算したコンフォーマーの数: 50 / 登録したコンフォーマーの数: 18 / Maximum lower distance constraint violation: 0.04 Å / Maximum torsion angle constraint violation: 0.3 ° / Maximum upper distance constraint violation: 0.07 Å
NMR ensemble rms
Distance rms dev: 0.011 Å / Distance rms dev error: 0.0005 Å