pafonine at lbl.gov
Thu Dec 14 09:17:22 PST 2006
> 4) The refinement (TLS + ML + B individual) went through, I got
> reasonable R, Rfree, rmsdBOND, rmsdANGLE. But the B factors are
> pretty low. The B factor of the backbone is much lower than the side
> chain, some have numbers like 4. Some metal atoms also have B
> factors around 4. What did I do wrong?
- Low B-factors are common for high resolution models, like higher 1.0A.
- Also, you can get low B-factors at very low resolution, since in this
case they are mostly modeled by overall B-factor (ether though TLS or by
overall exponential scaling).
- In rare cases side chain atoms can have lower B than corresponding
main chain atoms if they are involved in H-bonding.
I need more details for further diagnostics.
More information about the phenixbb