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The 0.93 Å electron density map (yellow) for the active site region of TM1010 is superimposed on atomic coordinates. Data were collected at APS GM/CAT 23-ID-D using a wavelength of 0.8856 Å and achieve a resolution of 0.9 Å. The space group is P6522 with two subunits per asymmetric unit (a=b=87.3 Å, c=130.4 Å). Refinement yielded R=17.6%, Rfree=18.8% using REFMAC, with further refinement in progress using SHELX. A Ni²⁺ cation assignment is based on low-resolution x-ray anomalous scattering data, suggesting proximity to a formate ligand.
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The 0.93 Å 2fo-fc electron density map (yellow) for the active site region of TM1010 superipmosed on the atomic coordinates • Data were collected at the APS GM/CAT 23-ID-D at a wavelength of 0.8856 Å and to a resolution of 0.9 Å • Space group P6522, two subunits in asymmetric unit a=b=87.3 Å c=130.4 Å • Data refined to an R=17.6% Rfree=18.8% with REFMAC. Further refinement is in progress with SHELX. • A Ni2+ cation has been assigned to the structure based on low-resolution x-ray anomalous scattering data (BL 1-5, SSRL) from the same crystal used for data collection at APS. • Based on the fit to the electron density, a formate ligand is believed to be within coordination distance of the Ni2+ cation.
