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Anomalous Zn Atoms
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I am hopeing someone out there can answer my question.
I have been processing a 4 wavelength MAD experiment,
I ran Crossec to give me the F' and F'' for Zn at the wavelengths used.
I then ran revise (this added the following 2 coloumns to my mtz file
FM-RE and SFM_RE.
I then ran Ecalc using FM-RE and SFM_RE to get Normalised structure
Followed by Rantan to give me 5 possible phase sets with weights.
rantan hklin ecalc_ay83d5L1-4_anomon.mtz \
hklout rata_ay83d5L1-4_anomon.mtz > rantan_ay83d5L1-4_anomon.lis << eof
TITLE Deter of heavy (anom) atom pos by rantan ay83d5L1-4_anomon.
LABO PHI1=NEWPHASE1 WT1=NEWT1 PHI2=NEWPHASE2 WT2=NEWT2 PHI3=NEWPHASE3 \
WT3=NEWT3 PHI4=NEWPHASE4 WT4=NEWT4 PHI5=NEWPHASE5 WT5=NEWT5
RESO 25.0 3.0
My question is how do I produce a map for use with peak search so I can
then run Mlphare ?
I have tried using the E value, NEWPHASE1 and NEWT1 (for all 5 given).
Is this the right method ? It gives me over 70 possible sites (Approx 2
-3 sites shown by direst methods )
Do I need to use a SIGF anywhere ? and if so which SIGF ?
Any advice on what to do with this MAD data next would be very wellcome.
Thanks in advance
Alan Riboldi- Tunnicliffe email@example.com
Institut fuer Molekulare Biotechnologie
Beutenbergstrasse 11, Jena Tel.: +49-3641-65-6070
Postfach 100 813, D-07708 Jena, Germany Fax: +49-3641-609818