Re: [ccp4bb] anisotropy vs TLS

2011-04-08 Thread Ethan Merritt
On Friday, April 08, 2011, Jacob Keller wrote: > Does anyone know what the record is for "most reflections per atom?" It goes up as high as 300 reflections per modelled atom in some virus structures modelled with strict NCS. There's one outlier in the current PDB set with >1000 refls/atom.

Re: [ccp4bb] anisotropy vs TLS

2011-04-08 Thread Jacob Keller
Does anyone know what the record is for "most reflections per atom?" JPK On Fri, Apr 8, 2011 at 8:06 AM, Ian Tickle wrote: > Hi Kenneth, > >> I know that TLS is a group B factor for regions of proteins that are moving >> the same. > > You have to be a bit careful here: first B factors do not ne

Re: [ccp4bb] anisotropy vs TLS

2011-04-08 Thread Ian Tickle
Hi Kenneth, > I know that TLS is a group B factor for regions of proteins that are moving > the same. You have to be a bit careful here: first B factors do not necessarily imply motion, they imply displacement (i.e. it could mean static displacements which just vary between unit cells). That's

Re: [ccp4bb] anisotropy vs TLS

2011-04-07 Thread Robbie Joosten
e: Thu, 7 Apr 2011 19:39:39 -0500 > From: satys...@wisc.edu > Subject: [ccp4bb] anisotropy vs TLS > To: CCP4BB@JISCMAIL.AC.UK > > peoples: > > I know that TLS is a group B factor for regions of proteins that are moving > the same. > It is used in low res structures. B

Re: [ccp4bb] anisotropy vs TLS

2011-04-07 Thread Pavel Afonine
Hi Kenneth, I hope this will answer most of your questions: http://www.phenix-online.org/newsletter/ see "TLS for dummies" and "On atomic displacement parameters..." articles. Pavel. On Thu, Apr 7, 2011 at 5:39 PM, Kenneth A. Satyshur wrote: > peoples: > > I know that TLS is a group B factor

[ccp4bb] anisotropy vs TLS

2011-04-07 Thread Kenneth A. Satyshur
peoples: I know that TLS is a group B factor for regions of proteins that are moving the same. It is used in low res structures. But at what resolution does one begin anisotropic, i.e individual aniso for each atom, and leave TLS out. Or can one still use TLS to first compensate for large motio