Crystal structure of a bile-acid 7-alpha dehydratase (CLOSCI_03134) from Clostridium scindens ATCC 35704 at 2.90 A resolution

Joint Center for Structural Genomics (JCSG)

Flat mirror (vertical focusing); single crystal Si(111) bent monochromator (horizontal focusing)

20.00% polyethylene glycol 3350, 0.200M sodium sulfate, No Buffer pH 6.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K

Crystal structure of a bile-acid 7-alpha dehydratase (CLOHYLEM_06634) from Clostridium hylemonae DSM 15053 at 2.20 A resolution - Ortholog structure

Crystal structure of a bile-acid 7-alpha dehydratase (CLOHIR_00079) from Clostridium hiranonis DSM 13275 at 1.60 A resolution - Ortholog structure

THIS CONSTRUCT (RESIDUES 4-169) WAS EXPRESSED WITH AN N-TERMINAL PURIFICATION TAG MGSDKIHHHHHHENLYFQG.

1. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. 2. ATOM RECORDS CONTAIN SUM OF TLS AND RESIDUAL B FACTORS. 3. ANISOU RECORDS CONTAIN SUM OF TLS AND RESIDUAL U FACTORS. 4. WATERS WERE EXCLUDED FROM AUTOMATIC TLS ASSIGNMENT. 5. ZINC (ZN+2) IS MODELED BASED ON A PEAK IN THE ANOMALOUS DIFFERENCE FOURIER AND AN EMISSION PEAK IN THE X-RAY FLUORESCENCE EXCITATION SCAN. 6. THE MODELED SULFATE IONS ARE IN THE CRYSTALLIZATION SOLUTION. 7. THE SCATTERING FACTORS FOR SULFUR, SELENIUM AND ZINC ATOMS WERE ADJUSTED BY REFMAC 5.7.0032 TO ACCOUNT FOR ANOMALOUS DISPERSION. THE SELENIUM CORRECTION WAS DERIVED FROM THE X-RAY FLUORESCENCE MAD SCAN BY CHOOCH. THE CORRECTIONS FOR ZINC AND SULFUR WERE BASED ON THE WAVELENGTH 0.97899 A (S F'= 0.18, SE F'= -7.35, ZN F'= -0.31). THE CROMER MANN VALUES LISTED IN THE CIF VERSION OF THE FILE INCLUDE THIS CORRECTION.

SnoaL-like domain, PF13577 family, Structural Genomics, Joint Center for Structural Genomics, JCSG, Protein Structure Initiative, PSI-BIOLOGY, LYASE