1.2 mM [U-100% 13C; U-100% 15N] Ph1500C, 20 mM sodium phosphate, 250 mM sodium chloride, 90% H2O/10% D2O
90% H2O/10% D2O
2
0.6 mM [U-85% 2H; U-100% 13C; U-100% 15N] Ph1500C, 20 mM sodium phosphate, 250 mM sodium chloride, 90% H2O/10% D2O
90% H2O/10% D2O
3
1.0 mM [U-100% 13C; U-100% 15N] Ph1500N, 50 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% D2O
90% H2O/10% D2O
4
1.0 mM [U-100% 15N] Ph1500N, 20 mM sodium phosphate, 50 mM sodium chloride, 90% H2O/10% D2O
90% H2O/10% D2O
5
0.6 mM [U-85% 2H; U-100% 13C; U-100% 15N] Ph1500, 20 mM sodium phosphate, 250 mM sodium chloride, 90% H2O/10% D2O
90% H2O/10% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
1.2mM
Ph1500C-1
[U-100% 13C; U-100% 15N]
1
20mM
sodium phosphate-2
1
250mM
sodium chloride-3
1
0.6mM
Ph1500C-4
[U-85% 2H; U-100% 13C; U-100% 15N]
2
20mM
sodium phosphate-5
2
250mM
sodium chloride-6
2
1.0mM
Ph1500N-7
[U-100% 13C; U-100% 15N]
3
50mM
sodium phosphate-8
3
50mM
sodium chloride-9
3
1.0mM
Ph1500N-10
[U-100% 15N]
4
20mM
sodium phosphate-11
4
50mM
sodium chloride-12
4
0.6mM
Ph1500-13
[U-85% 2H; U-100% 13C; U-100% 15N]
5
20mM
sodium phosphate-14
5
250mM
sodium chloride-15
5
試料状態
Conditions-ID
イオン強度
pH
圧 (kPa)
温度 (K)
1
50
7.0
ambient
300K
2
250
7.2
ambient
353K
3
250
7.2
ambient
318K
-
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
600
1
Bruker DMX
Bruker
DMX
750
2
Bruker DMX
Bruker
DMX
900
3
-
解析
NMR software
名称
バージョン
開発者
分類
XwinNMR
3.6
BrukerBiospin
collection
XwinNMR
3.6
BrukerBiospin
解析
Sparky
3.11
Goddard
データ解析
X-PLOR NIH
2.2.1
Schwieters, Kuszewski, TjandraandClore
構造決定
X-PLOR NIH
2.2.1
Schwieters, Kuszewski, TjandraandClore
精密化
精密化
手法: simulated annealing / ソフトェア番号: 1 詳細: Refinement is asymmetric. Each monomer has independent restraints and no symmetry operation is applied
NMR constraints
Protein chi angle constraints total count: 100 / Protein other angle constraints total count: 47 / Protein phi angle constraints total count: 131 / Protein psi angle constraints total count: 136
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: structures with the least restraint violations 計算したコンフォーマーの数: 50 / 登録したコンフォーマーの数: 20 / Maximum lower distance constraint violation: 0.04 Å / Maximum torsion angle constraint violation: 0.4 ° / Maximum upper distance constraint violation: 0.14 Å