50 mM sodium phosphate, 100 mM sodium chloride, 30 uM DSS, 400 uM [U-15N] NisI2, 10 % D2O, 90 % H2O, 90% H2O/10% D2O
90% H2O/10% D2O
2
50 mM sodium phosphate, 100 mM sodium chloride, 30 uM DSS, 400 uM [U-13C; U-15N] NisI2, 10 % D2O, 90 % H2O, 90% H2O/10% D2O
90% H2O/10% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
50mM
sodium phosphate-1
1
100mM
sodium chloride-2
1
30uM
DSS-3
1
400uM
NisI2-110-4
[U-15N]
1
10 %
D2O-5
1
90 %
H2O-6
1
50mM
sodium phosphate-7
2
100mM
sodium chloride-8
2
30uM
DSS-9
2
400uM
NisI2-110-10
[U-13C; U-15N]
2
10 %
D2O-11
2
90 %
H2O-12
2
試料状態
イオン強度: 100 / pH: 6.5 / 圧: 1 atm / 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
600
1
Bruker Avance
Bruker
AVANCE
700
2
Bruker Avance
Bruker
AVANCE
800
3
Bruker Avance
Bruker
AVANCE
950
4
Bruker Avance
Bruker
AVANCE
900
5
-
解析
NMR software
名称
開発者
分類
CCPN_Analysis
CCPN
chemicalshiftassignment
CCPN_Analysis
CCPN
データ解析
CARA
KellerandWuthrich
chemicalshiftassignment
CARA
KellerandWuthrich
データ解析
TopSpin
BrukerBiospin
collection
TopSpin
BrukerBiospin
データ解析
TopSpin
BrukerBiospin
解析
TopSpin
BrukerBiospin
精密化
OPAL
Luginbuhl, Guntert, BilleterandWuthrich
collection
OPAL
Luginbuhl, Guntert, BilleterandWuthrich
データ解析
OPAL
Luginbuhl, Guntert, BilleterandWuthrich
解析
OPAL
Luginbuhl, Guntert, BilleterandWuthrich
精密化
CYANA
Guntert, MumenthalerandWuthrich
構造決定
CYANA
Guntert, MumenthalerandWuthrich
精密化
OPALp
Luginbuhl, Guntert, BilleterandWuthrich
精密化
精密化
手法: torsion angle dynamics, water refinement / ソフトェア番号: 1
NMR constraints
NOE constraints total: 2336 / NOE intraresidue total count: 526 / NOE long range total count: 904 / NOE medium range total count: 290 / NOE sequential total count: 616 / Protein phi angle constraints total count: 78 / Protein psi angle constraints total count: 78
代表構造
選択基準: minimized average structure
NMRアンサンブル
コンフォーマー選択の基準: target function / 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