Misaki S, Morimoto Y, Ogata M, Yagi T, Higuchi Y, Yasuoka N
Department of Life Science, Faculty of Science, Himeji Institute of Technology, Kanaji 1475-2, Kamigori, Ako-gun, Hyogo 678-1297, Japan.
Acta Crystallogr D Biol Crystallogr. 1999 Feb;55(Pt 2):408-13. doi: 10.1107/s0907444998011810.
The structures of two crystal forms (form I, P3221, a = b = 43.7, c = 50.7 A; form II, P21, a = 27.3, b = 44.9, c = 51.2 A and beta = 90. 6 degrees ) of the rubredoxin from Desulfovibrio vulgaris Miyazaki F have been solved by the molecular-replacement method. Form I has been refined at a resolution of 2.0 A to an R value of 20.8% and includes 32 water molecules. Form II includes 86 water molecules and has been refined at 1.9 A resolution to an R value of 17.5%. In form II, there are three molecules in the asymmetric unit with the molecules related by a non-crystallographic 32 symmetry axis. In both crystal forms, it was found that only a few residues effectively participate in the formation of intermolecular contacts along both the crystallographic (form I) and the non-crystallographic (form II) 32 axes. The crystal structure of the form II crystal is compared with those of other rubredoxin molecules from anaerobic bacteria. From this comparison, a similarity in the core region, which is composed of aromatic residues and includes the active centre, has been revealed.
通过分子置换法解析了来自普通脱硫弧菌宫崎F株的红素氧还蛋白两种晶型（晶型I，P3221，a = b = 43.7，c = 50.7 Å；晶型II，P21，a = 27.3，b = 44.9，c = 51.2 Å，β = 90.6°）的结构。晶型I已精修至2.0 Å分辨率，R值为20.8%，包含32个水分子。晶型II包含86个水分子，已精修至1.9 Å分辨率，R值为17.5%。在晶型II中，不对称单元中有三个分子，这些分子通过一个非晶体学32对称轴相关联。在两种晶型中，均发现只有少数残基沿着晶体学（晶型I）和非晶体学（晶型II）32轴有效地参与分子间接触的形成。将晶型II晶体的晶体结构与其他厌氧细菌的红素氧还蛋白分子的结构进行了比较。通过这种比较，揭示了由芳香族残基组成并包含活性中心的核心区域的相似性。
