Re: [ccp4bb] B-factor Space gr questions!

Hi Ibrahim, On 04/06/07, Ibrahim M. Moustafa [EMAIL PROTECTED] wrote: Hi all, While reading a crystallographic paper describing the structure of an apo-protein and its complex I noticed that the authors described the space goup as P6122 for the unit cell: a=141.9, b=143.9, c=380.4

Re: [ccp4bb] B-factor Space gr questions!

Yes; a==b for P6i - prob. a typo.. B factors at 3.2A are hard to fix - it will depend on scaling convention to some extent.. Can you download the data and re-run refinement for your own satisfaction. If R ==Rfree for the complex then I suspect they did not transfer the FreeR flags from the

Re: [ccp4bb] error using NCS in dm

Hi! Your problem is probably this: you don't have 3 domains. You have 3 NCS copies, but only 1 domain. In CCP4I, instead up using the 'Add domain' button to add new operators, you should be using the 'Add operator' button. Kevin Jay Thompson wrote: Hi. I'm having a problem with running

[ccp4bb] Postdoc position

I am looking for a postdocs who is interested in developing new experimental techniques for X-ray structure determination of proteins using microcrystals or even non periodic objects. Short X-ray pulses of synchrotron radiation with high intensity should be used. The final aim is the

Re: [ccp4bb] B-factor Space gr questions!

Hi All, Thanks a lot for all reply with valuable inputs. In my original post: I meant a = b does not equal c. I used # for does not equal. Many asked where is that paper published! Actually the paper is under revision. When reading, I assumed the unit cell dimensions (or the space

Re: [ccp4bb] B-factor Space gr questions!

You have a good point there and I would be interested in hearing some other opinions, so I take the liberty of reposting- My instinctive preference is that each structure should be supported solely by the data that is deposited with it - (one dataset one structure) but in terms of good science

Re: [ccp4bb] B-factor Space gr questions!

Wouldn't the desirability of this depend on the extent to which the molecule has moved between the high-resolution and low-resolution datasets ? I would have thought that there was an effective information transfer between R-work and R-free once the rigid body movements became too large,

[ccp4bb] HIC-Update: Release 11.2 @ 2007-06-01 == 7,452 compounds

Dear structural(-ly interested) biologist ! HIC-Up, the Hetero-compound Information Centre - Uppsala, has been updated and now contains information on 7,452 hetero-entities. This is the last HIC-Up version prior to the release of the remediated PDB. Hopefully, the remediation will improve the

Re: [ccp4bb] B-factor Space gr questions!

On Tuesday 05 June 2007 12:19, Edward A Berry wrote: You have a good point there and I would be interested in hearing some other opinions, so I take the liberty of reposting- My instinctive preference is that each structure should be supported solely by the data that is deposited with it -

[ccp4bb] Seeking for Scientific Lead for the RCSB Protein Data Bank (PDB) Site at the University of California in San Diego (UCSD)

The RCSB Protein Data Bank (http://www.pdb.org), is looking for a Scientific Lead to assist in the advancement of the data dissemination strategies and delivery of important data viewing tools. The incumbent will function as the Scientific Lead for the RCSB Protein Data Bank (PDB) Site at the

[ccp4bb] ccp4MG- selecting h-bonds

I have a question about how to show certain h-bonds with CCP4MG. I¹d like to show a specific bond between an Arg and Glu, but not other H-bonds made by the Arg. How can I do this? Thanks! Kendall