Re: [ccp4bb] problem in scaling the Zn-MAD data

2012-04-06 Thread Eleanor Dodson
I don't see how a self rotation function can determine SG. If you processed data as P1 then found the SR maps showed 3 folds and 2 folds you might suspect that POINT GROUP!!! (Remember space groups are guessed on the basis of systematic absences - you don't really know that till you have a stru

Re: [ccp4bb] problem in scaling the Zn-MAD data

2012-04-06 Thread Eleanor Dodson
You know that point group has two indexing conventions (h k l and -k,-h,-l if I remember - see the CCP4 documentation on alternate indexing and use pointless to sort it out.. Eleanor . Use pointless to check On Apr 4 2012, Deepthi wrote: Hello everyone I have a problem scaling the MAD data wh

Re: [ccp4bb] problem in scaling the Zn-MAD data

2012-04-05 Thread Matthew Franklin
Hi - Let me just add that P312 is a very uncommon space group for protein crystals, much less common than P321. (This doesn't mean you don't have it - it's just unlikely.) If you look at PDB statistics: P 3 1 2 : 12 structures P3(1) 1 2: 61 structures P3(2) 1 2: 85 structures P 3 2 1 : 278

Re: [ccp4bb] problem in scaling the Zn-MAD data

2012-04-05 Thread Deepthi
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, Clem

Re: [ccp4bb] problem in scaling the Zn-MAD data

2012-04-05 Thread Clemens Vonrhein
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 rej

Re: [ccp4bb] problem in scaling the Zn-MAD data

2012-04-05 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Deepthi, is it just a typo, or do your last two sentences say that your data DO NOT scale in P312 but scale well in P321? Did you try pointless for space group determination? I have not used molrep for this purpose and cannot judge how reliable

Re: [ccp4bb] problem in scaling the Zn-MAD data

2012-04-04 Thread Frank von Delft
:07 Subject: [ccp4bb] problem in scaling the Zn-MAD data To: 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

[ccp4bb] problem in scaling the Zn-MAD data

2012-04-04 Thread Deepthi
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-