分子量: 20214.020 Da / 分子数: 1 / 断片: CORE TM DOMAIN, RESIDUES 92-270 / 由来タイプ: 組換発現 詳細: THE ISOCOUMARIN RING IS OPENED BY THE NUCLEOPHILIC ATTACK OF S201 FORMS ESTER BOND AND SUBSEQUENTLY A REACTION BETWEEN HISTIDINE CREATES A SECOND COVALENT BOND. 由来: (組換発現) ESCHERICHIA COLI (大腸菌) / 発現宿主: ESCHERICHIA COLI (大腸菌) / 株 (発現宿主): BL21(DE3) / Variant (発現宿主): C41 / 参照: UniProt: P09391, rhomboid protease
2-PHENYLETHYL 2-(4-AZANYL-2-METHANOYL-PHENYL)ETHANOATE (SV1): THE NUCLEOPHILIC ATTACK OF SER 201 ON ...2-PHENYLETHYL 2-(4-AZANYL-2-METHANOYL-PHENYL)ETHANOATE (SV1): THE NUCLEOPHILIC ATTACK OF SER 201 ON ISOCOUMARIN OPENS THE RING AND FORMS AN ESTER BOND. A SUBSEQUENT REACTION WITH HIS 150 RESULTS IN TWIN COVALENTLY BONDED MOLECULE.
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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: 3.5 Å3/Da / 溶媒含有率: 64.8 % / 解説: NONE
結晶化
温度: 298 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 7 / 詳細: 2M AMMONIUM CHLORIDE, 0.1 M BIS-TRIS PH7.0, 298K
解像度: 2.2→44.99 Å / Cor.coef. Fo:Fc: 0.95 / Cor.coef. Fo:Fc free: 0.935 / SU B: 5.099 / SU ML: 0.132 / 交差検証法: THROUGHOUT / ESU R: 0.203 / ESU R Free: 0.179 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY
Rfactor
反射数
%反射
Selection details
Rfree
0.24703
761
5 %
RANDOM
Rwork
0.21386
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obs
0.21552
14556
99.33 %
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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: 1.2 Å / 溶媒モデル: MASK