Text: This structure was determined using predominantly residual dipolar couplings from backbone atom pairs. It is a backbone structure modeled as an Ala-Gly-Pro polypeptide.
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試料調製
詳細
Solution-ID
内容
溶媒系
1
1 mM 1016054 U-15N, 16% 13C; 50 mM phosphate buffer; 200 mM KCl; 90% H2O, 10% D2O
90% H2O/10% D2O
2
0.5 mM 1016054 U-15N, 16% 13C; 50 mM phosphate buffer; 100 mM KCl; PEG bicelles (C12E5-hexanol in 0.98 ratio); 90% H2O, 10% D2O
PEG bicelles (C12E5-hexanol in 0.98 ratio); 90% H2O, 10% D2O
3
0.5 mM 1016054 U-15N, 16% 13C; 50 mM phosphate buffer; 100 mM KCl; PEG-CTAB (27:1)bicelles (C12E5-hexanol in 0.87 ratio); 90% H2O, 10% D2O
PEG-CTAB (27:1)bicelles (C12E5-hexanol in 0.87 ratio); 90% H2O, 10% D2O
試料状態
Conditions-ID
イオン強度
pH
圧 (kPa)
温度 (K)
1
200mMKCl
5.5
ambient
298K
2
100mMKCl
6
ambient
300K
3
100mMKCl
6
ambient
293K
結晶化
*PLUS
手法: その他 / 詳細: NMR
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NMR測定
放射
プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
放射波長
相対比: 1
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
Varian INOVA
Varian
INOVA
800
1
Varian INOVA
Varian
INOVA
600
2
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解析
NMR software
名称
バージョン
開発者
分類
NMRPipe
5.0.4
F. DeLaglio, S. Grzesiek, G. Vuister, G. Zhu, J. PfeiferandA. Bax
データ解析
REDcRAFT
1
H. Valafar, J. Prestegard
構造決定
XPLOR-NIH
2.9.1
Schwieters, Kuszewski, Tjandra, Clore
精密化
REDCAT
1
H. Valafar, J. Prestegard
データ解析
精密化
手法: RDC directed fragment assembly / ソフトェア番号: 1 詳細: RDCs were used in the initial assembly of four fragments. RDCs from two media were used to set relative orientations of the fragments. Translational relationships of fragments were dictated ...詳細: RDCs were used in the initial assembly of four fragments. RDCs from two media were used to set relative orientations of the fragments. Translational relationships of fragments were dictated by sequence connectivities and long-range NOEs. The assembled structure was minimized using a molecular force field and RDC error function. A total of 486 restraints were used: 380 residual dipolar coupling restraints, 85 NOE restraints (of which 64 were sequential, 11 short-range and 10 long-range), and 21 dihedral restraints. All sidechain atoms beyond CB are missing.