0.5 mM [U-100% 13C; U-100% 15N] p63 tetramerization domain, 0.5 mM p73 tetramerization domain, 25 mM HEPES, 50 mM sodium chloride, 95% H2O/5% D2O
95% H2O/5% D2O
2
0.5 mM p63 tetramerization domain, 0.5 mM [U-100% 13C; U-100% 15N] p73 tetramerization domain, 25 mM HEPES, 50 mM sodium chloride, 95% H2O/5% D2O
95% H2O/5% D2O
3
0.5 mM [U-100% 15N] p63 tetramerization domain, 0.5 mM [U-100% 13C] p63 tetramerization domain, 1 mM p73 tetramerization domain, 25 mM HEPES, 50 mM sodium chloride, 95% H2O/5% D2O
95% H2O/5% D2O
4
1 mM p63 tetramerization domain, 0.5 mM [U-100% 15N] p73 tetramerization domain, 0.5 mM [U-100% 13C] p73 tetramerization domain, 25 mM HEPES, 50 mM sodium chloride, 95% H2O/5% D2O
95% H2O/5% D2O
5
0.5 mM [U-100% 15N] p63 tetramerization domain, 0.5 mM p73 tetramerization domain, 25 mM HEPES, 50 mM sodium chloride, 100% D2O
100% D2O
6
0.5 mM p63 tetramerization domain, 0.5 mM [U-100% 15N] p73 tetramerization domain, 25 mM HEPES, 50 mM sodium chloride, 100% D2O
100% D2O
7
0.5 mM [U-100% 15N] p63 tetramerization domain, 0.5 mM [U-100% 13C] p63 tetramerization domain, 0.5 mM [U-100% 15N] p73 tetramerization domain, 0.5 mM [U-100% 13C] p73 tetramerization domain, 25 mM HEPES, 50 mM sodium chloride, 95% H2O/5% D2O
95% H2O/5% D2O
試料
濃度 (mg/ml)
構成要素
Isotopic labeling
Solution-ID
0.5mM
p63 tetramerization domain-1
[U-100% 13C; U-100% 15N]
1
0.5mM
p73 tetramerization domain-2
1
25mM
HEPES-3
1
50mM
sodium chloride-4
1
0.5mM
p63 tetramerization domain-5
2
0.5mM
p73 tetramerization domain-6
[U-100% 13C; U-100% 15N]
2
25mM
HEPES-7
2
50mM
sodium chloride-8
2
0.5mM
p63 tetramerization domain-9
[U-100% 15N]
3
0.5mM
p63 tetramerization domain-10
[U-100% 13C]
3
1mM
p73 tetramerization domain-11
3
25mM
HEPES-12
3
50mM
sodium chloride-13
3
1mM
p63 tetramerization domain-14
4
0.5mM
p73 tetramerization domain-15
[U-100% 15N]
4
0.5mM
p73 tetramerization domain-16
[U-100% 13C]
4
25mM
HEPES-17
4
50mM
sodium chloride-18
4
0.5mM
p63 tetramerization domain-19
[U-100% 15N]
5
0.5mM
p73 tetramerization domain-20
5
25mM
HEPES-21
5
50mM
sodium chloride-22
5
0.5mM
p63 tetramerization domain-23
6
0.5mM
p73 tetramerization domain-24
[U-100% 15N]
6
25mM
HEPES-25
6
50mM
sodium chloride-26
6
0.5mM
p63 tetramerization domain-27
[U-100% 15N]
7
0.5mM
p63 tetramerization domain-28
[U-100% 13C]
7
0.5mM
p73 tetramerization domain-29
[U-100% 15N]
7
0.5mM
p73 tetramerization domain-30
[U-100% 13C]
7
25mM
HEPES-31
7
50mM
sodium chloride-32
7
試料状態
Conditions-ID
イオン強度
pH
圧 (kPa)
温度 (K)
1
75
7
ambientatm
310K
2
5
6
ambientatm
310K
-
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 II
Bruker
AVANCEII
500
1
Bruker Avance
Bruker
AVANCE
700
2
Bruker Avance
Bruker
AVANCE
800
3
Bruker Avance
Bruker
AVANCE
900
4
-
解析
NMR software
名称
バージョン
開発者
分類
CYANA
3.97
Guntert, MumenthalerandWuthrich
構造決定
TALOS+
Cornilescu, DelaglioandBax
データ解析
OPALp
1.4
Luginbuhl, Guntert, BilleterandWuthrich
精密化
Sparky
3.114
Goddard
peakpicking
Sparky
3.114
Goddard
chemicalshiftassignment
TopSpin
3.2
BrukerBiospin
解析
TopSpin
3.2
BrukerBiospin
データ解析
精密化
手法: molecular dynamics / ソフトェア番号: 1
NMR constraints
NOE constraints total: 2582 / NOE intraresidue total count: 412 / NOE long range total count: 850 / NOE medium range total count: 614 / NOE sequential total count: 706 / Hydrogen bond constraints total count: 440 / Protein chi angle constraints total count: 0 / Protein other angle constraints total count: 0 / Protein phi angle constraints total count: 180 / Protein psi angle constraints total count: 180
代表構造
選択基準: closest to the average
NMRアンサンブル
Average torsion angle constraint violation: 4.96 ° / 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: 200 / 登録したコンフォーマーの数: 20 / Maximum torsion angle constraint violation: 6.66 ° / Maximum upper distance constraint violation: 0.17 Å