Text: This structure was determined with NOE restraints from multidimensional heteronuclear experiments, dihedral angle restraints based on measurements of scalar coupling constants, and dipolar ...Text: This structure was determined with NOE restraints from multidimensional heteronuclear experiments, dihedral angle restraints based on measurements of scalar coupling constants, and dipolar coupling restraints measured on samples in partially aligned phases.
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試料調製
詳細
Solution-ID
内容
溶媒系
1
1.1 mM S4 delta 41, U-15N,13C; 20 mM d4-acetate pH 5.4, 250 mM KCl, 0.1 mM sodium azide
94% H2O, 6% D2O
2
0.8 mM S4 delta 41, U-15N; 20 mM d4-acetate pH 5.4, 250 mM KCl, 0.1 mM sodium azide
94% H2O, 6% D2O
3
0.45 mM S4 delta 41, U-15N,13C; 20 mM d4-acetate pH 5.4, 250 mM KCl
99.9% D2O
4
0.62 mM S4 delta 41, 10% 13C; 20 mM d4-acetate pH 5.4, 250 mM KCl
99.9% D2O
5
0.10 mM S4 delta 41, U-15N; 7 mM d4-acetate pH 5.4, 7 mM KH2PO4 pH 6.5, 80 mM KCl, 5% w/v DMPC:DHPC (3:1)
93% H2O/7% D2O
6
0.21 mM S4 delta 41, U-15N, 85% 2H; 15N,13C,1H methionine; epsilon-13C, 1H tyrsoine; beta,gamma,delta 2H proline; 10 mM KH2PO4 pH 6.5, 300 mM KCl, 0.2 mM sodium azide, 2.5 mg/ml Pf1
94% H2O, 6% D2O
試料状態
Conditions-ID
イオン強度
pH
圧 (kPa)
温度 (K)
1
250mMKCl
5.4
1atm
310K
2
80mMKCl
6
1atm
310K
3
300mMKCl
6.5
1atm
310K
結晶化
*PLUS
手法: other / 詳細: NMR
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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 DMX
Bruker
DMX
750
1
Bruker DMX
Bruker
DMX
500
2
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解析
NMR software
名称
バージョン
開発者
分類
XwinNMR
2.5
BRUKER
構造決定
NMRPipe
1.7
DELAGLIO
構造決定
PIPP
4.2.8
GARRETT
構造決定
X-PLOR
3.8, 4.0
BRUNGER
精密化
精密化
手法: hybrid DGSA protocol without the dipolar coupling restraints, additional SA with the dipolar coupling restraints add ソフトェア番号: 1 詳細: SUMMARY OF RESTRAINTS: 2170 NOE, 86 HYDROGEN BOND, 114 DIHEDRAL ANGLE, AND 101 DIPOLAR COUPLINGS