Dear Vinson, Liang
have a look at the penultimate table from
mtzdmp your_mtz_file.mtz
where your_mtz_file.mtz is the mtz-file you are using to deposit/ for
refinement.
That second last table lists the columns which are present in your mtz-file,
their types and names and should give a clue what phenix uses as Rfree-flag and
why refmac and sfcheck do not recognise it.
You can send us that table if you are not sure how to interpret the data it
presents.
Tim
On Thu, Oct 21, 2010 at 01:50:04PM +0800, Vinson LIANG wrote:
> Dear all,
>
> Recently I deposited a structure to PDB. However, I was told
> >> The R value of SF check are different from your reported value.
> >>
> >> R work in SF check = 0.2859
> >> your reported R work = 0.1474
> >> Also there are no R free flags in your sending files, but you reported R
> >> free value in your all deposition.
>
>
>
> So, I rerun my deposited file with phenix.refine, and it gave a R-work=0.1475, R-free=0.1742.
>
> However, when I tried to run the same file with refmac5, error came with "Free R label has not been set". I guess phenix.refine gives Rree-R label that other program could not recognize.
>
> Could anyone please help me to solve this problem?
>
> Thank you very much in advance,
>
> Best,
>
> Vinson, Liang
>
>
>
>
>
>
>
--
--
Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
phone: +49 (0)551 39 22149
GPG Key ID = A46BEE1A
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