Pavel,
I set 'wxc_scale = 0.1', and also included secondary structure restraints,
reference model. The 'individual site' still give me higher Rfree and bigger
gap between Rfree and Rwork of my dataset (~3.8A).
Is the 'wxc_scale = 0.1' not tight enough?
Thanks,
2011/3/18 Pavel Afonine
Hi Yu,
I have no idea where you read this ("Phenix suggested "Individual site" refinement is only suitable for high or midi resolution data (<3.5A)") - I would never say this.
With proper set of restraints (Ramachandran plot restraints, secondary structure restraints, reference model (if available) restraints) and weights (tight enough geometry) you can refine individual coordinates (as well as B-factors) at this resolution.
Pavel.
On 3/18/11 2:31 PM, Zhang yu wrote:
Dear phenixer,
Phenix suggested "Individual site" refinement is only suitable for high or midi resolution data (<3.5A). What is the alternate strategy to refine the atom coordinates of low resolution data?
Yu