Hi everyone
I am new to solving crystal structures so apologies for the simple
question
I am solving a structure using molecular replacement. I have refined my
structure with refmac however the R-factor and R-free do not seem to go
down with successive rounds of refinement. The initial
Hello Sylvia,
Two issues I would consider:
1) recheck the space group
2) make sure that I had selected a good model for my MR search
All the Best,
Sean
It would not necessarily be unusual for an initial
MR solution to have an R-factor of 45-48%, depending on the MR program
used and quality of the search model. However, after an initial
restrained refinement in Refmac, a good solution should drop pretty
smartly from there. Some issues to
On 09/10/2009 12:17 PM, Sean Seaver wrote:
Hello Sylvia,
Two issues I would consider:
1) recheck the space group
2) make sure that I had selected a good model for my MR search
All the Best,
Sean
Hi Sylvia,
If you have just used rigid body refinement - the Rfactor might be high
until
Hi Sylvia,
although modern MR programs perform rigid body refinement, it may be
worth of giving a try a novel rigid body refinement protocol
implemented in phenix.refine (MZ rigid-body refinement protocol), that
has very high convergence radius:
J. Appl. Cryst. (2009). 42, 607-615. "Automatic
On 10 Sep 2009, at 19:29, Pavel Afonine wrote:
Hi Sylvia,
although modern MR programs perform rigid body refinement, it may be
worth of giving a try a novel rigid body refinement protocol
implemented in phenix.refine (MZ rigid-body refinement protocol),
that has very high convergence
