手法: 溶液NMR 詳細: PlnJ peptide of the two-peptide bacteriocin plantaricin JK
NMR実験
Conditions-ID
Experiment-ID
Solution-ID
タイプ
1
1
1
2D 1H-15N HSQC
1
2
1
2D 1H-13C HSQC
1
3
1
2D 1H-1H COSY
1
4
1
2D DQF-COSY
1
5
1
2D 1H-1H TOCSY
1
6
1
2D 1H-1H NOESY
1
7
1
3D 1H-15N NOESY
1
8
1
3D 1H-15N TOCSY
1
9
1
3D HNHA
1
10
2
2D 1H-15N HSQC
1
11
2
2D 1H-13C HSQC
1
12
2
2D 1H-1H COSY
1
13
2
2D DQF-COSY
1
14
2
2D 1H-1H TOCSY
1
15
2
2D 1H-1H NOESY
-
試料調製
詳細
Solution-ID
内容
溶媒系
1
0.6 mM [U-95% 15N] PlnJ-1, 100 mM [U-99% 2H] DPC-2, 0.2 mM DSS-3, 10 % [U-2H] D2O-4, 0.1 % TFA-5, 90% H2O/10% D2O
90% H2O/10% D2O
2
1 mM PlnJ-6, 170 mM [U-99% 2H] DPC-7, 0.1 % TFA-8, 0.2 mM DSS-9, 10 % [U-2H] D2O-10, 90% H2O/10% D2O
90% H2O/10% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
0.6mM
PlnJ-1
[U-95% 15N]
1
100mM
DPC-2
[U-99% 2H]
1
0.2mM
DSS-3
1
10 %
D2O-4
[U-2H]
1
0.1 %
TFA-5
1
1mM
PlnJ-6
2
170mM
DPC-7
[U-99% 2H]
2
0.1 %
TFA-8
2
0.2mM
DSS-9
2
10 %
D2O-10
[U-2H]
2
試料状態
pH: 2.5 / 圧: ambient / 温度: 297 K
-
NMR測定
NMRスペクトロメーター
タイプ: Bruker Avance / 製造業者: Bruker / モデル: AVANCE / 磁場強度: 600 MHz
-
解析
NMR software
名称
バージョン
開発者
分類
TopSpin
1.3
BrukerBiospin
collection
TopSpin
1.3
BrukerBiospin
解析
Sparky
Goddard
chemicalshiftassignment
Sparky
Goddard
peakpicking
NMRPipe
Delaglio, Grzesiek, Vuister, Zhu, PfeiferandBax
解析
ACME
Delaglio, ZhengrongandBax
データ解析
CYANA
2.1
Guntert, MumenthalerandWuthrich
構造決定
MOLMOL
2k2
Koradi, BilleterandWuthrich
データ解析
CYANA
2.1
Guntert, MumenthalerandWuthrich
精密化
精密化
手法: torsion angle dynamics / ソフトェア番号: 1
NMR constraints
NOE constraints total: 386 / NOE intraresidue total count: 131 / NOE long range total count: 0 / NOE medium range total count: 130 / NOE sequential total count: 125 / Protein chi angle constraints total count: 0 / Protein other angle constraints total count: 0 / Protein phi angle constraints total count: 34 / Protein psi angle constraints total count: 16