Print

Print


Dear Rohit,

in your refinement table I find that the R-factors are elevated in the ice ring ranges (around 2.22 and 1.93 A resolution).
And your data collections statistics seem to confirm this -  CC1/2 is very high at high resolution which is often due to ice rings.

Could be a classical case of "data collection problem becomes visible at refinement stage".

best,

Kay

On Tue, 15 Aug 2017 22:09:44 +0530, rohit kumar <[log in to unmask]> wrote:

>Dear All,
>
>
>
>I am refining a data in refmac5 and the data resolution is 1.8 A. Data is
>looking fine with the data statics see below for data statics
>
>
>
>[image: Inline image 1]
>
>
>
>Right now the R/Rfree is 22/26 not good for such resolution. I have tried
>most of the options in refmec5 but still I am not able to lower these
>R/Rfree values.
>
>During refinement with phenix what I found that at resolution 1.93 to 1.86
>R/Rfree is quite high see below
>
>
>[image: Inline image 2]
>
>
>
>
>Is this the possible reason for high R/Rfree value?. If it is  please let
>me know how some can remove these frames during refinement. or
>
>
>Please tell me other strategies to lower down the R/Rfree values.
>
>
>Thank you in advance
>
>
>With Regards
>
>Dr. Rohit Kumar Singh
>