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
