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

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

2013-04-28 Thread sonali dhindwal
Dear All, We are working on a crystal structure with 12 molecules in an asymmetric unit. It is a heteromer and each chain is made up of two type of chains. Therefore there are 24 chains in an  asymmetric unit. It is giving solution in P1. Rfactor and Rfree has reached 20.25 and 25.6 at a