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Dear NMR wikiers

could you please suggest any auto assignment web servers online to assign N-15 & C13- EDIT NOESY experiments data?

Thanking you

asked Sep 28 '11 at 20:18

sri's gravatar image

sri
71

updated Sep 28 '11 at 20:22

I don't no anything like that but why don't you use ARIA to auto-assign during structure calculation ? - Yoan Monneau (Sep 29 '11 at 07:43)

I prefer to assign 60 percent of the noesy data before submitting to aria . - sri (Sep 29 '11 at 19:52)

Just as an exemple : I resolved a structure of well-structured protein of 12kDa with a 15N-NOESY and a 13C-NOESY : 13C-NOESY = no assignment at all, and 15N-NOESY = only unambigeous pic. The strucure calculated by ARIA was almost perfect after the first test ! (2350 constraints ~ 30% assigned). - Yoan Monneau (Oct 01 '11 at 04:35)


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CYANA also does a very good job determining the structure using NOE auto assignment. However, the NOEs are very tightly restrained which results in overly tight ensembles with very low RMSD values. To obtain a more accurate structure, I use XPLOR-NIH to refine the structure using RDCs, relaxed NOE restraints, and remove the sterospecific assignments made by CYANA. See the XPLOR-NIH archive 2007-03-19 19:54:24 GMT post by Marius Clore for instructions on how to convert the CYANA NOEs to run in XPLOR-NIH. H2O and RDC refinement of the CYANA structures also can be carried using ARIA, see DeRose et al., Biochemistry 2007, 46, 12100-12110.

One final note, CYANA auto assignment works best with clean peak lists.

link

answered Oct 05 '11 at 08:16

Eugene%20DeRose's gravatar image

Eugene DeRose
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