Dear Sun,
if I remember correctly phaser already carries out a rigid body refinement
of its solution.
To avoid and remove as much model bias as possible, I suggest you look at
the solution from phaser and build _as_ _much_ _as_ _possible_ BEFORE you
do any further refinement, i.e., try to match the sequence, correct side
chains, etc. Only once you cannot do any bettermanually you should run a
refinement program and after that again build as much as possible, etc.
Tim
--
Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
GPG Key ID = A46BEE1A
On Tue, 17 Mar 2009, Sun Tang wrote:
Dear All,
Recently I solved a structure at 2.5 A with PHASER, with two molecules in
assymetric unit. There are no short contacts in the solution. However,
the Rfree stays at about 50% after the refinement of rigid boby and
restrained refinement in CNS. The sequences homology is about 30%.
What is the usual way to deal with this kind of problems? Should I just
refine the backbone of the structure and then build the side chains?
Your suggestions are greatly appreciated!!!
Best wishes,
Sun
