30 Apr
2008
30 Apr
'08
12:25 a.m.
Hi Zhiyong Ren,
The structure was solved by auto-sad at 2.7A. However, the r-factor can not be lowered by phenix.refine (TLS+ADP+rigid). Is there any manipuliations we can do to deal with this situation?
At 2.7A I would use this strategy: "strategy=individual_sites+tls+individual_adp" I would also try to use SA: "simulated_annealing=true" If this will result in over-fitting or any sign of it, then I would play with target weights: wxc_scale (manually), or just let phenix.refine to find the optimal one using "optimize_wxc=true" keyword. Next, I would let phenix.refine fill the water, but since the resolution is rather low I would tighten water picking criteria. Try to run it through phenix.autobuild too. Cheers, Pavel.