CRYSTALLOGRAPHIC STUDY OF HALOALKANE DEHALOGENASE DpcA FROM PSYCHROBACTER CRYOHALOLENTIS K5

then trans ferred to this buffer prior to crys tal li za tion and si mul ta neously, the crys tal li za tion tem per a ture was low ered to 4°C. This op ti mi za tion re sulted in for ma tion of crys tals with max i mum di men sions of ap prox i mately 0.35 ́ 0.2 ́ 0.1 mm. which dif fracted up to 2.5 C and show sig nif i cant anisotropic be hav iour. The struc ture of AHP2 was solved us ing SIRAS pro to col us ing anom a lous sig nal of the Lutetium. AHP2 pro tein rep re sents a-he li cal bun dle, com pris ing of four short and two long he li ces. Short he li ces form a cen tral core of the pro tein with the con served His res i due car ry ing the phosporyl group sit u ated in the mid dle of the third a-he lix. In or der to gain in sight into the struc tural fea tures, un der ly ing AHP2-CKI1rd in ter ac tion, mo lec u lar-dy nam ics sim u la tions were car ried out. Sim u la tions were per formed for 100 ns and show the sta bil ity of pro tein-pro tein com plex. The key res i dues, re spon si ble for the AHP2-CKI1rd in ter ac tion, were iden ti fied and re veal strong pro tein-pro tein bind ing. The anal y sis of the ob tained data is cur rently in prog ress. Re fe ren ces