100-200 uM [U-99% 13C; U-99% 15N] FCV VPg 7-76, 300 mM sodium chloride, 20 mM HEPES, 1 mM sodium azide, 90% H2O/10% D2O
90% H2O/10% D2O
2
100-200 uM [U-99% 13C; U-99% 15N] FCV VPg 7-76, 300 mM sodium chloride, 1 mM sodium azide, 20 mM HEPES, 100% D2O
100% D2O
3
100-200 uM [U-99% 13C; U-99% 15N] FCV VPg 7-76, 300 mM sodium chloride, 1 mM sodium azide, 20 mM HEPES, 15 mg/mL Pf1 phage, 90% H2O/10% D2O
90% H2O/10% D2O
試料
濃度 (mg/ml)
単位
構成要素
Isotopic labeling
Conc. range (mg/ml)
Solution-ID
uM
FCV VPg 7-76-1
[U-99% 13C; U-99% 15N]
100-200
1
300mM
sodium chloride-2
1
20mM
HEPES-3
1
1mM
sodium azide-4
1
uM
FCV VPg 7-76-5
[U-99% 13C; U-99% 15N]
100-200
2
300mM
sodium chloride-6
2
1mM
sodium azide-7
2
20mM
HEPES-8
2
uM
FCV VPg 7-76-9
[U-99% 13C; U-99% 15N]
100-200
3
300mM
sodium chloride-10
3
1mM
sodium azide-11
3
20mM
HEPES-12
3
15mg/mL
Pf1 phage-13
3
試料状態
Conditions-ID
イオン強度
pH
圧 (kPa)
温度 (K)
1
300
7
ambient
283K
2
300
7
ambient
283K
3
300
7
Ambient
280K
-
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 DRX
Bruker
DRX
500
1
Bruker Avance
Bruker
AVANCE
800
2
-
解析
NMR software
名称
開発者
分類
TALOS
Cornilescu, DelaglioandBax
geometryoptimization
ARIA
Linge, O'DonoghueandNilges
構造決定
NMRView
Johnson, OneMoonScientific
chemicalshiftassignment
NMRView
Johnson, OneMoonScientific
データ解析
MARS
Zweckstetteretal., 2004
chemicalshiftassignment
NMRPipe
Delaglio, Grzesiek, Vuister, Zhu, PfeiferandBax
データ解析
CNS
Brunger, Adams, Clore, Gros, NilgesandRead
精密化
精密化
手法: simulated annealing / ソフトェア番号: 1
NMR constraints
NOE constraints total: 1172 / NOE intraresidue total count: 373 / NOE long range total count: 144 / NOE medium range total count: 153 / NOE sequential total count: 197
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: 20