Baverage gives you a plot of B value against residue number and chain ID - that would allow you to visually see which parts of each structure are best ordered. If you have run TLS refinement and NOT used TSLANL to add the anise and individual contributions to B then the plot will give you the deviation of each residue from the anisotropically expected mean.
Are all your mutants in the same space group and unit cell? Eleanor On 11 May 2012 19:24, Dale Tronrud <[email protected]> wrote: > While a comparison of the B factors is easy to do, interpreting its > meaning > is not. The B factors are affected not only by the motion of the atoms, > but > by many other factors, including the overall quality of the order of the > crystal. > The B factors for a model based on a low resolution data set will be > larger than > those from a model of the exact same protein based on a high resolution > data set. > > If you wish to derive some sort of structural interpretation to the B > factors > of your region of interest you have to somehow normalize them relative to > the > average B factor of the better ordered parts, or, say, the Wilson B. > > Dale Tronrud > > On 05/11/12 02:32, <World light> wrote: > > Hi, > > > > I would like to make the comparative study of different mutant > structures. There > > is a region which is flexible and missing in some cases. Is there any > direct > > method of calculating the BAVERAGE of that region. I used the baverage > program > > in ccp4 for whole structure but would like to see the values with and > without > > the region. > > > > Thanx, > > > > Bishwa >
