[ccp4bb] B factor of the loop

2013-03-03 Thread Faisal Tarique
Dear all Can B factor in the crystal structure be the criteria to look into the flexibility of a region or domain.? Also if two structures are at different resolutions. Faisal --

Re: [ccp4bb] B factor of the loop

2013-03-03 Thread Bosch, Juergen
yes - but keep in mind your protein is in the context of the crystal lattice, so flexible regions in solution are likely to be stabilized in the crystal lattice. So if you color by B also look at the symmetry mates. And you should also submit both structures to the TLSMD server and look at

Re: [ccp4bb] B factor of the loop

2013-03-03 Thread John Fisher
Indeed! If the B factors are rather large compared to the globular protein core (assuming there is a globular core being that the protein crystallized), one can make the assumption, especially within a loop region, that this is an indirect measurement of flexibility. However, as Jürgen pointed