I cant comment on the pictures - but to calculate an anom map -
if you have run REFMAC you will need to CAD together the refmac output
plus the Dano & SIGdano in the data processed file
Use reflection utilies
Merge mtz files
then Map utilities
FFT - select anomalous
Fill in columns Dano plus PHIC and FOM
Do a peak search
Readthose peaks into coot and check they or symmetry equivalent look
sensible with your structure
Eleanor
On 06/03/2011 07:50 PM, Haytham Wahba wrote:
> preliminary question??
>
> resolution 1.5
> crystal soaked in dimethylTindibromide + DTT
> dimer in Asymmetric U.
>
> one show diMethylmonobromidetin only no DTT (not shown)
> other subunit show (almost) monomethylmonobromideTin + DTT (see attached)
>
> even after refining individual atom (phenix) i still have positive and negative peak
>
> and no density of DTT for sulfhdryl group away from tin (see attached sim-Ann-diff)
>
> including 2 DTT molecules (diasteriomers) the situation getting worse (see attached)
> good r-factors good Molprop
>
> 1- helpful comment will be appreciated
>
> 2- i want to calculate anomalous difference map for Br , sulfur and Tin (not refining using anomalous) how can i do that?
>
> thank you in advance
>
> haytham wahb
> canada
> UdeM
> Biochemi
>
>
>
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