Minor correction: SHELX software are not part of CCP4 but if you have
them installed as part of your crystallograhic software, you can call
them from the CCP4 GUI.
You can obtain the SHELX suite free to academic labs from Ggeorge
Sheldrickbe
Email George Sheldrick. George M. Sheldrick <gshe...@shelx.uni-ac.gwdg.de>
Jürgen Bosch wrote:
CCP4 way:
locate the Se sites with SHELX (if you use the CCP4I gui it's technically a
ccp4 program :-) )
Try using only your peak data set first. If you can't locate your sites with
the single wavelength then add remote (DAD) and if that doesn't work go MAD.
non-ccp4 way
run hkl2map as frontend to SHELX, do the same thing.
After 10 minutes go and open a bottle of your favourite sparkling cider* and
start tracing the structure.
Jürgen
* can be replaced by other sparkling product containing trace amounts of EtOH
supplemented with flavours
On May 19, 2010, at 12:01 PM, Qing Lu wrote:
Hi All,
I am new to protein crystallography. I would like to know the steps involved in solving a MAD dataset by using the program in CCP4 where you determine the phases and then obtain the trace. The dataset is collected at 3 different wavelengths (peak, inflection and remote) using Se-Met as the scatterer. The crystals diffracted to resolution of 2 Angstrsoms and has a good anomalous signal.
Thanks,
Qing Lu
-
Jürgen Bosch
Johns Hopkins Bloomberg School of Public Health
Department of Biochemistry & Molecular Biology
Johns Hopkins Malaria Research Institute
615 North Wolfe Street, W8708
Baltimore, MD 21205
Phone: +1-410-614-4742
Lab: +1-410-614-4894
Fax: +1-410-955-3655
http://web.mac.com/bosch_lab/
