Re: [ccp4bb] B-factors, H/D exchange and protein flexibility

2007-11-13 Thread Ethan Merritt
On Tuesday 13 November 2007 06:41, Brad Bennett wrote:
 
 I would be interested then to know how the community feels about the 
 correlation of B-factors to protein flexibility. It is generally accepted
 that these are linked but are there any new papers that address this?

This is the basis of TLSMD analysis, and TLS refinement in general.
TLSM is described in 
   Painter  Merritt (2006)  Acta Cryst. D62, 439-450
   http://skuld.bmsc.washington.edu/~tlsmd


-- 
Ethan A MerrittCourier Deliveries: 1959 NE Pacific
Dept of Biochemistry
Health Sciences Building
University of Washington - Seattle WA 98195-7742


Re: [ccp4bb] B-factors, H/D exchange and protein flexibility

2007-11-13 Thread Jayashankar
Dear Brad,

the flexibility, that is how far a protein is stabilized with cold and heat
denaturation of a protein,

this inturn depends on

1.solvation enthalpy of nonpolar moieties(need more energy,so there needs to
be some randomness)
2.shift in temparature due to the enthalpy associated with transfer of
peptide group into water
3.its all depend truly on enthalpy convergence temperature and entropy
convergence temperature.

infact both quantities are characterised with large enthapy and entropy
compensation and; the temperature.

thanks

On Nov 13, 2007 6:07 PM, Ethan Merritt [EMAIL PROTECTED] wrote:

 On Tuesday 13 November 2007 06:41, Brad Bennett wrote:
 
  I would be interested then to know how the community feels about the
  correlation of B-factors to protein flexibility. It is generally
 accepted
  that these are linked but are there any new papers that address this?

 This is the basis of TLSMD analysis, and TLS refinement in general.
 TLSM is described in
   Painter  Merritt (2006)  Acta Cryst. D62, 439-450
   
 http://skuld.bmsc.washington.edu/~tlsmdhttp://skuld.bmsc.washington.edu/%7Etlsmd
 


 --
 Ethan A MerrittCourier Deliveries: 1959 NE Pacific
 Dept of Biochemistry
 Health Sciences Building
 University of Washington - Seattle WA 98195-7742




-- 
S.Jayashankar
Research Student
Institute for Biophysical Chemistry
Hannover Medical School
Germany