[phenixbb] The individual site refinement for Low resolution data (~3.8A)

[Zhang yu]

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 <pafonine at lbl.gov>

>  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
>>
>
>
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