Re: [ccp4bb] substructure solution.

2015-03-02 Thread Avisek Mondal
Thank you all for the guidance. Avisek On Mon, Mar 2, 2015 at 4:24 PM, Tim Gruene wrote: > Dear Avisek, > > did you try shelxd for substructure solution? I think that it tries to > avoid the Uranium solution. There are a couple of caveats with soaks, > e.g. you are not sure about the number of

Re: [ccp4bb] substructure solution.

2015-03-02 Thread Tim Gruene
Dear Avisek, did you try shelxd for substructure solution? I think that it tries to avoid the Uranium solution. There are a couple of caveats with soaks, e.g. you are not sure about the number of sites and their occupancies. Occupancies are refined by shelxd, and you can test a few number of searc

[ccp4bb] substructure solution.

2015-02-23 Thread Avisek Mondal
Dear all, I am trying to phase a large novel structure of 150 kDa with P21 space group. So far I have collected 3.0A datasets from iodinated derivatives in Cu-K alpha. In SAD phasing I got 0.745 figure of merit (FOM) and LLG about 476208.27 (sites in inverse hand gave the same FOM and LLG),by Pheni