Any queries (other than missing content) should be directed to the corresponding author for the article. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Data collection and refinement statistics The electrostatic calculation and the figure preparation were performed using PyMOl software.įeb2s0014579307011167-sup-mmc1.docapplication/doc, 51.5 KB The approach that has been most successful in the authors opinion is the web lecture, where an audio presentation is. This article presents a series of approaches used to educate potential users of crystallographic software for powder diffraction. The model was further refined by energy minimization using CNS software. Observations on online educational materials for powder diffraction crystallography software. The model of SARS 3CL pro docked with DMSO and intact EPDTC was constructed using the observed crystal structure of SARS 3CL pro bound with EPDTC and DMSO as reference. A model of the SARS 3CL pro complexed with intact EPDTC. The oxygen atoms are red, nitrogen blue, sulfur orange, carbon gray and the water molecules are shown as spheres in red.įeb2s0014579307011167-sup-fx2.jpgapplication/jpg, 32 KBįigure S2. Location Department of Chemistry Chernoff Hall Room 107 Queens University 90 Bader Lane Kingston, Ontario, Canada K7L 3N6 Phone: 61 ext.74474 Fax: 61 Hours Monday to Friday 9:00 AM - 5:00 PM Work Order form (DOC, 369KB).

The inhibitor and catalytic dyad are shown as ball and stick models. (A–D) The zinc ion (yellow) of TDT, EPDTC, JMF1586 and JMF1600 was bound to the catalytic dyad H 41 and C 145. Feb2s0014579307011167-sup-fx1.jpgapplication/jpg, 53 KBį c electron density maps (1.0 σ level) superimposed on the structures.

Mercury crystallography software online