Re: [ccp4bb] Poor electron density in some of the chains in an asymmetric unit

2013-04-30 Thread sonali dhindwal
Dear All, Thanks for the reply. I will try process and refine the data again, will see if it improves. Thanks again to all.   -- Sonali Dhindwal “Live as if you were to die tomorrow. Learn as if you were to live forever.” From: Mark van Raaij

Re: [ccp4bb] Poor electron density in some of the chains in an asymmetric unit

2013-04-29 Thread Eleanor Dodson
There isnt much information here! Funny that 3 chains are poor - does that mean one and a half heterodimers? I presume you have checked spacegroup? Zanuda will test to see if any higher symmetry is present.. Eleanor On 29 April 2013 06:02, sonali dhindwal sonali11dhind...@yahoo.co.inwrote:

Re: [ccp4bb] Poor electron density in some of the chains in an asymmetric unit

2013-04-29 Thread sonali dhindwal
Dear Eleanor, Thanks for the suggestion, I just checked on the Zanuda program, it is also giving P1 as the best possible spacegroup for the molecule. and by not refining well, I meant for the electron density which is broken at many places at main chain, and poor electron density for the

Re: [ccp4bb] Poor electron density in some of the chains in an asymmetric unit

2013-04-29 Thread Roger Rowlett
FYI, I do know of one example of a solved structure where some of the molecules in the ASU are poorly defined. In 1EKJ, 4 of the 8 molecules in the ASU have low B-factors (mid 30s) and 4 have high B-factors (50s-60s). In the unit cell these layers alternate. It is possible, if everything else

Re: [ccp4bb] Poor electron density in some of the chains in an asymmetric unit

2013-04-29 Thread Fischmann, Thierry
You may also get some insights from TLS refinement. Regards Thierry From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Roger Rowlett Sent: Monday, April 29, 2013 12:27 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Poor electron density in some of the chains in an

Re: [ccp4bb] Poor electron density in some of the chains in an asymmetric unit

2013-04-29 Thread sonali dhindwal
Dear All, Thanks for the help and suggestion Francis, we used molrep for the structure solution. As I told that we already have the structure of the same protein, but a variant. So, we used its single chain (heteromer) as a model for molecular replacement. and Eleanor, I deleted once that

Re: [ccp4bb] Poor electron density in some of the chains in an asymmetric unit

2013-04-29 Thread David Schuller
On 04/29/13 12:26, Roger Rowlett wrote: FYI, I do know of one example of a solved structure where some of the molecules in the ASU are poorly defined. In 1EKJ, 4 of the 8 molecules in the ASU have low B-factors (mid 30s) and 4 have high B-factors (50s-60s). In the unit cell these layers

Re: [ccp4bb] Poor electron density in some of the chains in an asymmetric unit

2013-04-29 Thread Mark van Raaij
and 2VAK...average Bs for the twelve, sequence identical, chains vary from 28 to 53. On 29 Apr 2013, at 22:09, David Schuller wrote: On 04/29/13 12:26, Roger Rowlett wrote: FYI, I do know of one example of a solved structure where some of the molecules in the ASU are poorly defined. In