0.24 mM [U-5% 13C; U-100% 15N] ewr120 protein, 5 mM calcium chloride, 20 mM ammonium acetate, 100 mM sodium chloride, 10 mM DTT, 0.02 % sodium azide, 95% H2O/5% D2O
95% H2O/5% D2O
2
0.7 mM [U-100% 13C; U-100% 15N] ewr120 protein, 5 mM calcium chloride, 20 mM ammonium acetate, 100 mM sodium chloride, 10 mM DTT, 0.02 % sodium azide, 95% H2O/5% D2O
95% H2O/5% D2O
3
0.32 mM [U-100% 13C; U-100% 15N] ewr120 protein, 5 mM calcium chloride, 20 mM ammonium acetate, 100 mM sodium chloride, 10 mM DTT, 0.02 % sodium azide, 95% H2O/5% D2O
95% H2O/5% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
0.24mM
ewr120protein
[U-5% 13C; U-100% 15N]
1
5mM
calciumchloride
1
20mM
ammoniumacetate
1
100mM
sodiumchloride
1
10mM
DTT
1
0.02 %
sodiumazide
1
0.7mM
ewr120protein
[U-100% 13C; U-100% 15N]
2
5mM
calciumchloride
2
20mM
ammoniumacetate
2
100mM
sodiumchloride
2
10mM
DTT
2
0.02 %
sodiumazide
2
0.32mM
ewr120protein
[U-100% 13C; U-100% 15N]
3
5mM
calciumchloride
3
20mM
ammoniumacetate
3
100mM
sodiumchloride
3
10mM
DTT
3
0.02 %
sodiumazide
3
試料状態
イオン強度: 138 / pH: 5.5 / 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
800
1
Varian INOVA
Varian
INOVA
750
2
-
解析
NMR software
名称
バージョン
開発者
分類
AutoStructure
2.0.0
Huang, Tejero, PowersandMontelione
構造決定
CARA
1.8.4
KellerandWuthrich
データ解析
CARA
1.8.4
KellerandWuthrich
peakpicking
CARA
1.8.4
KellerandWuthrich
精密化
CARA
1.8.4
KellerandWuthrich
chemicalshiftassignment
CSI
2
WishartandSykes
データ解析
CNS
1.2
Brunger, Adams, Clore, Gros, NilgesandRead
精密化
MOLMOL
2K.2
Koradi, BilleterandWuthrich
visualization
PROSA
6.0.2
Guntert
解析
TALOS
98.040.21.02
Cornilescu, DelaglioandBax
データ解析
VnmrJ
2.1B
Varian
collection
CYANA
2.1
Guntert, MumenthalerandWuthrich
構造決定
AutoAssign
1.15.1
Zimmerman, Moseley, KulikowskiandMontelione
chemicalshiftassignment
TopSpin
1.4
BrukerBiospin
collection
TopSpin
1.4
BrukerBiospin
解析
精密化
手法: simulated annealing / ソフトェア番号: 1 / 詳細: In explicit water bath
NMR constraints
NOE constraints total: 1000 / NOE intraresidue total count: 266 / NOE long range total count: 349 / NOE medium range total count: 81 / NOE sequential total count: 306 / Protein chi angle constraints total count: 0 / Protein other angle constraints total count: 0 / Protein phi angle constraints total count: 20 / Protein psi angle constraints total count: 20
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: 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