Computational protocol: Structure of l-Serine Dehydratasefrom Legionella pneumophila: Novel Use of the C-TerminalCysteine as an Intrinsic Competitive Inhibitor

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Protocol publication

[…] Prior to X-ray data collection, the crystals were transferred to a cryoprotectant solution containing 20% poly(ethylene glycol) 3400, 15% ethylene glycol, 250 mM NaCl, 250 mM tetramethylammonium chloride, and 100 mM homopipes (pH 5.0). X-ray data were collected at the Structural Biology Center beamline 19-BM at a wavelength of 0.9794 Å (Advanced Photon Source). The X-ray data were processed and scaled with HKL3000. Relevant X-ray data collection statistics are listed in Table .The structure of the protein was determined via single-wavelength anomalous dispersion. Analysis of the X-ray data measured from the selenomethionine-labeled crystals with SHELXD revealed 32 selenium atoms., Protein phases were calculated using these sites with SHELXE followed by solvent flattening and averaging with RESOLVE., An initial model was built and subsequently refined against the SAD X-ray data. Iterative rounds of model building with COOT and refinement with REFMAC reduced the Rwork and Rfree to 19.8 and 25.8%, respectively, from 30 to 2.25 Å resolution. Model refinement statistics are listed in Table . […]

Pipeline specifications

Software tools SHELX, Coot
Application Protein structure analysis
Organisms Legionella pneumophila
Diseases Tuberculosis