[sharp-discuss] Hendrickson-Lattman coefficients

[Pietro Roversi]

Dear Stephanie,
> 
> > I have tried inputting these initial HA sites, but they are not kept
> > during refinement.

I have recently done something very similar to what you are doing (MR to
phase low-res ano maps then phase in SHARP and solvent flatten with the
aid of the MR model) and this is what worked:

- keep Se occupancies to 1.0 and Bs to the Wilson B of the data, and let
go only of f"; if you have a native and the native an Se are
isomorphous, use both and declare the Se atoms as Se-S and nothing in
the native;
- you can try use or not use the MR ABCDs in the heavy-atom refinement,
remember that SHARP ANO LLG maps are more sensitive than simple Ano
Fouriers so they might pick up more sites;
- look in the SHARP anoLLG maps and add more Se if you see any, repeat
to flatness; 
- when solvent flattening use the model as Clemens suggested

Good luck!

Ciao

P

-- 
Pietro Roversi
Sir William Dunn School of Pathology, Oxford University
South Parks Road, Oxford OX1 3ER, England UK
Tel. 0044-1865-275385