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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