On 25 Jan 2009, at 19:32, anil kumar wrote:
Dear All,
I am refining a structure (resolution 2.4A) using Refmac and am getting a lot of cis-peptides (about 16 for prolines as well as other amino acids). There are some side chain swaps as well leading to high differences Rfactor: 20.6 and Rfree: 27.6. Although I tried to convert them to trans form and then tried to refine but it shows them again as cis peptides only.
In order to rectify the second problem of side chain swaps I have tried to mutate back the residues followed by refinements but it is also of no use.
I need to know if anyone of you have ever encountered these kind of problems. I will be greatly helped by your suggestions in this regard.
Best regards,
Anil Kumar (Graduate Student)
---------------------------------------------
School of Biological Sciences
Division of Structural & Computational Biology
Nanyang Technological University, 60 Nanyang Drive
Singapore 639798.
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