[ccp4bb] Negative electron Density for Zinc

2012-08-28 Thread Deepthi
the Zinc atoms( I am new to crystallography) . I calculated the structure factors using FFT from CCP4 and it shows the same. I don't understand the problem. It refines well in Refmac and B-factors also look very good. Anyone know what the problem is? Thank You in advance Deepthi -- Deepthi

[ccp4bb] Negative electron Density for Zinc

2012-08-28 Thread Deepthi
Hi Everybody Thank You very much for your suggestions. I did play around with Zinc occupancy by giving 0.5 to each of them. I got rid of the negative electron density. But i think it still needs to be refined. Thank You very much once again Deepthi

Re: [ccp4bb] Regarding refinement in Refmac5

2012-07-19 Thread Deepthi
chain its just not accepting. May be it is not the correct solution? Is it possible? Thank You Deepthi On Thu, Jul 19, 2012 at 7:04 AM, Eleanor Dodson eleanor.dod...@york.ac.ukwrote: It isn't that your space group is wrong, but are you sure that your mtz file has that space group in its header

[ccp4bb] Regarding refinement in Refmac5

2012-07-18 Thread Deepthi
to the Phenix generated model. I have no idea what is going on. Can anyone help me? Thank You in advance Deepthi

Re: [ccp4bb] Regarding refinement in Refmac5

2012-07-18 Thread Deepthi
. Appreciated Deepthi On Wed, Jul 18, 2012 at 10:02 AM, Garib N Murshudov ga...@mrc-lmb.cam.ac.uk wrote: Can you check space group in your mtz and pdb? I have seen this happening when they disagree. It is annoying and I would like it to be sorted out. If you want you can send your data and I can try

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

2012-04-05 Thread Deepthi
, 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

[ccp4bb] problem in scaling the Zn-MAD data

2012-04-04 Thread Deepthi
very much Deepthi

[ccp4bb] Using intrinsically bound Zn atoms for phasing

2012-03-06 Thread Deepthi
should i use to collect the diffraction data for Zn. any suggestions? Thank You Deepthi -- Deepthi