0.5-1 mM FOG-1 PR, 20 mM sodium phosphate, 0.01 mM DSS, 95% H2O/5% D2O
95% H2O/5% D2O
2
0.5-1 mM [U-100% 15N] FOG-1 PR, 20 mM sodium phosphate, 0.01 mM DSS, 95% H2O/5% D2O
95% H2O/5% D2O
3
0.5-1 mM [U-100% 13C; U-100% 15N] FOG-1 PR, 20 mM sodium phosphate, 0.01 mM DSS, 95% H2O/5% D2O
95% H2O/5% D2O
試料
濃度 (mg/ml)
単位
構成要素
Isotopic labeling
Conc. range (mg/ml)
Solution-ID
mM
FOG-1 PR-1
0.5-1
1
20mM
sodium phosphate-2
1
0.01mM
DSS-3
1
mM
FOG-1 PR-4
[U-100% 15N]
0.5-1
2
20mM
sodium phosphate-5
2
0.01mM
DSS-6
2
mM
FOG-1 PR-7
[U-100% 13C; U-100% 15N]
0.5-1
3
20mM
sodium phosphate-8
3
0.01mM
DSS-9
3
試料状態
イオン強度: 0.06 / pH: 7 / 圧: ambient / 温度: 298 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
3
BrukerBiospin
解析
Sparky
3
Goddard
chemicalshiftassignment
Sparky
3
Goddard
peakpicking
CNS
Brunger, Adams, Clore, Gros, NilgesandRead
構造決定
CYANA
Guntert, MumenthalerandWuthrich
構造決定
CYANA
Guntert, MumenthalerandWuthrich
精密化
精密化
手法: torsion angle dynamics, simulated annealing / ソフトェア番号: 1 詳細: Initial structure calculations including automated NOE assignment carried out in CYANA. Calculations carried out with iterative manual assignment until no restraint violations remained., ...詳細: Initial structure calculations including automated NOE assignment carried out in CYANA. Calculations carried out with iterative manual assignment until no restraint violations remained., RECOORD protocol carried out using unambiguous restraint list derived from CYANA calculations. 500 structures calculated using simulated annealing and the top 40 subject to water refinement. Top 20 from these were used to represent the final structure.
NMR constraints
NOE constraints total: 1244 / NOE intraresidue total count: 289 / NOE long range total count: 451 / NOE medium range total count: 124 / NOE sequential total count: 366 / Protein phi angle constraints total count: 89 / Protein psi angle constraints total count: 89
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: structures with the lowest energy 計算したコンフォーマーの数: 500 / 登録したコンフォーマーの数: 20