温度: 293 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 6.8 詳細: To obtain the inhibitor bound crystal form of TMK-S.aureus crystals were initially grown in the absence of compound using the sitting drop method at 293 K with a reservoir solution of 100 mM ...詳細: To obtain the inhibitor bound crystal form of TMK-S.aureus crystals were initially grown in the absence of compound using the sitting drop method at 293 K with a reservoir solution of 100 mM PCPT (propionate-cacodylate-bistris propane buffer) pH 7-8, 21-24% PEG 3350, 200 mM Mg2Cl using 1:1 protein:reservoir solution with the protein solution at 13 mg/mL. Crystals were harvested and soaked overnight in a solution containing 100 mM PCPT, 35% PEG 3350, 200 mM Mg2Cl and 1-2 mM TK-666 from a 100 mM DMSO stock. After soaking the crystals were cryoprotected by soaking for 15 minutes in compound-soak solution supplemented with 20% ethylene glycol. , VAPOR DIFFUSION, SITTING DROP
構造決定の手法: 分子置換 開始モデル: in-house apo-state coordinates 解像度: 1.55→41.84 Å / Cor.coef. Fo:Fc: 0.9429 / Cor.coef. Fo:Fc free: 0.9329 / SU R Cruickshank DPI: 0.08 / 交差検証法: THROUGHOUT / σ(F): 0 詳細: Data reduction was accomplished by employing the AutoPROC toolbox and the structure determined by molecular replacement with AMoRE using an apo-state model of S. aureus TMK. COOT was used to ...詳細: Data reduction was accomplished by employing the AutoPROC toolbox and the structure determined by molecular replacement with AMoRE using an apo-state model of S. aureus TMK. COOT was used to inspect the model and electron density and BUSTER or REFMAC were used for macromolecular refinement calculations. Geometry of the model was analyzed with MolProbity and stereochemistry of the compound analyzed with MOGUL.