ENGINEERED RESIDUE IN CHAIN A, PHE 448 TO HIS ENGINEERED RESIDUE IN CHAIN B, PHE 448 TO HIS ...ENGINEERED RESIDUE IN CHAIN A, PHE 448 TO HIS ENGINEERED RESIDUE IN CHAIN B, PHE 448 TO HIS ENGINEERED RESIDUE IN CHAIN C, PHE 448 TO HIS ENGINEERED RESIDUE IN CHAIN D, PHE 448 TO HIS
非ポリマーの詳細
RESIDUE P61 - (2E)-3-(3-FLUORO-4-HYDROXYPHENYL)-2-{[(Z)-{3- HYDROXY- 2-METHYL-5-[(PHOSPHONOOXY) ...RESIDUE P61 - (2E)-3-(3-FLUORO-4-HYDROXYPHENYL)-2-{[(Z)-{3- HYDROXY- 2-METHYL-5-[(PHOSPHONOOXY)METHYL] PYRIDIN-4(1H)-YLIDENE}METHYL]IMINO PROPANOIC ACID IS THE FORMAL NAME FOR 3-(3-FLUORO-4-HYDROXY-PHENYL) 2-(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-1H-PYRIDIN-4-YLIDENE METHYLIMINO)-PROPIONIC ACID.
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実験情報
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実験
実験
手法: X線回折 / 使用した結晶の数: 1
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試料調製
結晶
マシュー密度: 2.8 Å3/Da / 溶媒含有率: 56.5 % / 解説: NONE
結晶化
温度: 293 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 8 詳細: CRYSTALS OF THE C. FREUNDII F448H TPL WERE GROWN AT 277 AND 293 K USING THE HANGING DROP VAPOR DIFFUSION METHOD. THE BEST CRYSTALS WERE OBTAINED BY MIXING 2 UL OF THE PROTEIN SOLUTION (18-20 ...詳細: CRYSTALS OF THE C. FREUNDII F448H TPL WERE GROWN AT 277 AND 293 K USING THE HANGING DROP VAPOR DIFFUSION METHOD. THE BEST CRYSTALS WERE OBTAINED BY MIXING 2 UL OF THE PROTEIN SOLUTION (18-20 MG/ML) CONTAINING 50 MM K-PHOSPHATE PH 8.0, 0.5 MM PLP, 1 MM DDT WITH AN EQUAL VOLUME OF THE RESERVOIR SOLUTION CONTAINING 50 MM TRIETHANOLAMINE BUFFER (PH 8.0), 0.5 MM PLP, 2 MM DDT, 0.4 M KCL, AND 35-38% (W/V) POLY(ETHYLENE GLYCOL) 5000 MONOMETHYL ETHER. THE QUINONOID INTERMEDIATE WITH 3-FLUORO-L-TYROSINE WAS PREPARED BY SOAKING THE TPL CRYSTALS FOR ABOUT 30 SECONDS IN THE STABILIZATION SOLUTION CONTAINING 40% POLY(ETHYLENE GLYCOL) 5000 MONOMETHYL ETHER, 50 MM TRIETHANOLAMINE BUFFER (PH 8.0), 0.25 M KCL, 0.2 MM PLP, 0.5 MM DTT AND 10 MM 3-FLUORO-L-TYROSINE. CRYSTALS WERE FROZEN DIRECTLY FROM THE SOAKING SOLUTION.
解像度: 2→30 Å / Cor.coef. Fo:Fc: 0.975 / Cor.coef. Fo:Fc free: 0.963 / SU B: 5.341 / SU ML: 0.074 / 交差検証法: THROUGHOUT / ESU R: 0.126 / ESU R Free: 0.117 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
反射数
%反射
Selection details
Rfree
0.1747
1547
1 %
RANDOM
Rwork
0.1408
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obs
0.14114
152931
98.66 %
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溶媒の処理
イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.4 Å / 溶媒モデル: MASK