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Hello everyone,
   
  I have a structure of intermediate state in which about half amount of ATP decomposed to AMP and pyrophosphate. The ATP and AMP + pyrophosphate have little difference in conformation, sharing the same electron density. 
   
  I just gave them different residue ID and did the TLS and restrained refinement in CCP4i. It is hard to tell from the R-factor because they are only a very small part of the whole structure. Can anyone tell whether it is the correct way to do? 
   
  Any suggestions are greatly appreciated.
   
  Thank you very much!
   
  Sincerely,
   
  Sun Tang

       
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