Re: [ccp4bb] scala statistics and reindexing

2009-10-15 Thread Phil Evans
Hi Ariel Scaling depends only on the point group, & P222 & P212121 belong to the same point group, so you don't have to scale it again (nor reindex it) Best wishes Phil On 15 Oct 2009, at 21:44, Ariel Talavera wrote: Hi ccp4ers, I firstly integrated the data in P222 but finally the cor

Re: [ccp4bb] scala statistics and reindexing

2009-10-15 Thread Frederic VELLIEUX
In fact the stats will be exactly the same: the only difference between P222 and P212121 are the extinctions along the a* b* and c* axes. Given that you have thousands of reflections that are not extinct and only a few that are, the stats will be the same. Fred. > Message du 15/10/09 22:43 > D

Re: [ccp4bb] scala statistics and reindexing

2009-10-15 Thread Jiamu Du
Dear Ariel, The statistics are almost the same. It is not need to rescale the data. Just reindex it into p212121. Best wishes. On Thu, Oct 15, 2009 at 4:44 PM, Ariel Talavera wrote: > Hi ccp4ers, > > I firstly integrated the data in P222 but finally the correct space group > resulted P212121 and

[ccp4bb] scala statistics and reindexing

2009-10-15 Thread Ariel Talavera
Hi ccp4ers, I firstly integrated the data in P222 but finally the correct space group resulted P212121 and I had to reindex the data. Are the stats (like Rmerge, number of reflexions, etc) I got from the scala precesses in P222, the same as if I would scale the data in P212121? If not, do I n

[ccp4bb] latest version of coot (having a small problem with it though)

2009-10-15 Thread Vellieux Frederic
Dear all, I just installed on my box the latest binary for coot. Just marvelous (thanks Paul). I am having a little problem with it that is annoying me (I went through the FAQ but could not find the answer). Coot does not allow me to insert a terminal residue nor to real-space refine (I neve

[ccp4bb] Post-doctoral position in Paris

2009-10-15 Thread Marc Delarue
--- Begin Message --- A post doctoral position founded by E.U. is open in the _Pasteur Institute in Paris _to carry out structural work on bacterial homologues of cys-loop receptors. The position will be equally shared between the "Channel-Receptors" group for protein production and the "Struc

[ccp4bb] BCA Biological Structures Group winter meeting 2009 - Pathological Proteins

2009-10-15 Thread Cooper, Jon (Medsch Royal Free/Medicine)
The BCA Biological Structures Group winter meeting will be held on Friday 18th December 2009 at the Royal Free Hospital in north London, starting at 11.00 am. The theme of the meeting is 'Pathological Proteins' - the aim is to encompass structural studies of proteins involved in a range of dis

[ccp4bb] SeMet incorporation determination - SUMMARY

2009-10-15 Thread Marija Backovic
Dear all - I wanted to thank everyone for their input on how to go about determining levels of SeMet incorporation in recombinant proteins. Here is the summary of suggestions: 1) MALDI-TOF: http://www.ibs.fr/Plates-formes/Caracterisation-de-proteines/Spectrometrie-de-Masse/ http://www.ibbmc.

Re: [ccp4bb] run of Refmac5 (latest version of CCP4)

2009-10-15 Thread Eleanor Dodson
I wonder if your ZN atom name is in the correct position re PDB conventions It needs to be moved one place to the Left relative to C N O etc.. And if you have the ATOMid in columns 79/80 that also must be correctly positioned.. Some buglets are fixed immediately if you simply use pdbset xyzin no