That must be a bug..
2.00 is the lowest value permitted .
Possble causes: You have very low resolution data, and the overall B
value is badly estimated (not very common)
common cause: you have done TLS refinement which reports b value
differences from the TLS derived values. If you start from an
artificially high initial B these will indicate that you should start
with a lower initial b value. In fact after TLS the "iso B" isnt used
for calculating structure factors so the reported value of 2 really
doesnt matter for your map quality etc..
If you run TLSANL then the B values should be reset to logical estimates.
eleanor
Ray Brown wrote:
Can anybody shed some light on why my atomic B factors all end up as 2.00 after
restrained refinement with REFMAC5? Is there a fix?
Thanks.
Ray
email [email protected]
