It has been my experience that the auto NOE assignments made by CYANA 1.2 produces more accurate structures than ARIA 1.2. For example, using ARIA 1.2 to accurately determine the structure of the beta hairpin loop in the DNA lyase domain of pol lambda, 1NZP, I had to almost completely manually assign all the NOEs involving the residues in the loop. CYANA 1.2 solved the structure accurately using only auto assigned NOEs. I found similar results when solving the structure of the pol mu BRCT domain.
The structures produced by CYANA 2.1, however, are over refined and require further solvent and/or RDC refinement using ARIA or XPLOR-NIH. The tight CYANA distance restraints must be relaxed when using XPLOR-NIH RDC refinement. CYANA 3.0 now uses RDCs and may not required further refinement.
answered Oct 26 '11 at 15:22
I meant CYANA 2.1 not 1.2 in my previous response. Sorry about that.
answered Oct 27 '11 at 13:03