On 22/01/2022 17:34, YUVARAJ I wrote:
I have solved a protein structure using anomalous signal using mercury(II)potassium Iodide(K2HgI4).I wanted to submit the structure of the protein with mercury(II) potassium iodide to PDB.I am facing problems while making the ligand (HGI4) . HGI4 is not available in the pdb.Make Ligand in CCP4 is showing error [...] I have attached the screenshots for reference.
If it really is tetrahedral you could try the attached (TIM is already taken so you'll have to rename it - or wwPDB will do it for you).
I desalted it of course. I also updated (hand-edited) the bond distances using the Acedrg Tables reference.
If successful, send us a picture of the post-refinement maps. Paul. ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
TIM-pyrogen.cif
Description: CIF chemical test
