- PDB-7ux6: Crystal structure of MfnG, an L- and D-tyrosine O-methyltransfera... -
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基本情報
登録情報
データベース: PDB / ID: 7ux6
タイトル
Crystal structure of MfnG, an L- and D-tyrosine O-methyltransferase from the marformycin biosynthesis pathway of Streptomyces drozdowiczii, with SAH bound at 1.35 A resolution (P212121 - form I)
The construct was cloned into the EcoRI and HindIII sites of pET22b with an N-terminal Met (0) ...The construct was cloned into the EcoRI and HindIII sites of pET22b with an N-terminal Met (0) added and the native GUG-start codon being expressed as V. A C-terminal expression and 6-His tag ASENLYFQ/GGGHHHHHHG leaving a C-terminal ASENLYFQ after removal of the 6-His tag with TEV protease.
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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: 1.96 Å3/Da / 溶媒含有率: 37.31 %
結晶化
温度: 293 K / 手法: 蒸気拡散法, シッティングドロップ法 詳細: 0.2 M ammonium formate, 20% (w/v) PEG 3350, Additive: 0.002 M S-Adenosyl methionine (SAM/AdoMet)
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データ収集
回折
平均測定温度: 100 K Crystal treatment: flash cooled by immersion in liquid nitrogen Serial crystal experiment: N
解像度: 1.35→33.63 Å / SU ML: 0.12 / 交差検証法: THROUGHOUT / σ(F): 1.35 / 位相誤差: 29.91 / 立体化学のターゲット値: ML 詳細: 1. HYDROGENS HAVE BEEN INCLUDED AT THEIR RIDING POSITIONS USING THE ELECTRON CLOUD DISTANCES. 2. THE STRUCTURE CONTAINS AND UNKNOWN LIGAND UNL BOUND IN THE ACTIVE SITE. THE COMPOUND IS A ...詳細: 1. HYDROGENS HAVE BEEN INCLUDED AT THEIR RIDING POSITIONS USING THE ELECTRON CLOUD DISTANCES. 2. THE STRUCTURE CONTAINS AND UNKNOWN LIGAND UNL BOUND IN THE ACTIVE SITE. THE COMPOUND IS A METABOLITE THAT CO-PURIFIED WITH THE PROTEIN. THE STRUCTURE LOOKS SIMILAR TO NIACIN, NICOTINAMIDE, BENZOATE, NITORBENZENE ETC. SINCE THE PRECISE SPECIES IS NOT KNOWN, IT WAS MODELED AS A PARTIAL OCCUPANCY UNL. 3. EVEN THOUGH THE CRYSTALLIZATION DROPS WERE SETUP WITH S-ADENOSYLMETHIONINE (SAM/ADOMET), ELECTRON DENSITY CLEARLY SHOWS THAT THE COFACTOR HAS BROKEN DOWN TO S-ADENOSYL-L-HOMOCYSTEINE (SAH/ADOHCY). 4. THERE IS STRONG TRANSLATIONAL NCS (TNCS) IN THE CRYSTAL PACKING. 4. THE DATA WERE PROCESSED WITH STARANISO DUE TO THE ANISOTROPIC RESOLUTION EXTENT.
Rfactor
反射数
%反射
Rfree
0.19
4933
4.91 %
Rwork
0.166
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obs
0.167
100565
69.1 %
溶媒の処理
減衰半径: 0.9 Å / VDWプローブ半径: 1.11 Å / 溶媒モデル: FLAT BULK SOLVENT MODEL