Hello I arrived at the p312 space group by running a self rotation function using MOLREP. The maps show the space group as p312. I was scaling the data individually for each wavelength. None of the three wavelengths are scaling are scaling in p312 space group.
On Thu, Apr 5, 2012 at 2:17 AM, Clemens Vonrhein <vonrh...@globalphasing.com > wrote: > Hi, > > On Wed, Apr 04, 2012 at 02:07:58PM -0700, Deepthi wrote: > > Hello everyone > > I have a problem scaling the MAD data which was collected a week ago.The > > data was collected at 1.5A resolution using three wavelengths for Zn-MAD > > experiments. Scaling the data for MAD experiments, the number of > rejections > > and chi2 values were very high even after adjusting the error-scale > factor > > and error model. The space group i used was p312 which i obtained by > > running a self-rotation function in MOLREP. When i scale my data using > p312 > > spacegroup the chi2 and rejections were huge. But he data was scaling > well > > in p321 spacegroup. can anyone explain whats going on? > > When you say 'Scaling the data for MAD experiments': do you mean > scaling the various scans for your 3-wvl MAD data in a single scaling > job? Unless you already took care of this during data integration, > remember that your separate scans could have been indexed differently > and therefore don't match up. See eg. > > http://www.ccp4.ac.uk/html/reindexing.html > > for some lookup-tables in P312 and P321. You can use the CCP4 program > 'reindex' on MTZ files if needed. > > But I guess most modern data-processing and scaling programs will take > care of that automatically anyway? > > Cheers > > Clemens > > -- > > *************************************************************** > * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com > * > * Global Phasing Ltd. > * Sheraton House, Castle Park > * Cambridge CB3 0AX, UK > *-------------------------------------------------------------- > * BUSTER Development Group (http://www.globalphasing.com) > *************************************************************** > -- Deepthi
