[ccp4bb] ccp4bb: ccp4i and ligand library

- Protein crystallography

Main steps:

- Protein purification
- Crystallisation

Special:

- Programs for crystallography
- X-ray detectors

Basic tutorials:

   - Chemistry
   - Protein
   - Peptide
   - Amino Acids

Xtal community:

- CCP4BB

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: protein precipitated when they formed a complex
From: Nurit Mirkin nuritmirkin {- at -} HOTMAIL {- dot -} COM
Date: 2007-12-13

Next message:
Subject: Hybrid Methods Meeting Announcement
From: Wes Sundquist wes {- at -} BIOCHEM {- dot -} UTAH {- dot -} EDU
Date: 2007-12-13

Subject: ccp4bb: ccp4i and ligand library
From: Catherine Regni regnicat {- at -} YAHOO {- dot -} COM
Date: 2007-12-13

Thank you for your respones. I managed to fix the problem as follows:

Everytime I read in my dictionary from ccp4i Sketcher I got the "New ligand..." error and Refmac would write out a new .cif file. When I used the .cif file written by Refmac, refinement worked. I compared my Sketcher .cif and the .cif generated by Refmac. The difference I see between the two files is as follows:

Sketcher (under List of Monomers)

MOD MOD 'modified ' non-polymer 16 9 .

Refmac .cif (under List of Monomers)

MOD MOD '. ' . 15 9 .
MOD MOD 'modified ' non-polymer 16 9 .

If I add the extra line to the .cif I generated from Sketcher, it works! I'm glad I've got it running. Cheers! Catherine

Catherine Regni, Ph.D.

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CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: protein precipitated when they formed a complex
From: Nurit Mirkin nuritmirkin {- at -} HOTMAIL {- dot -} COM
Date: 2007-12-13

Next message:
Subject: Hybrid Methods Meeting Announcement
From: Wes Sundquist wes {- at -} BIOCHEM {- dot -} UTAH {- dot -} EDU
Date: 2007-12-13