Re: [ccp4bb] Low Bfactor values for waters after TLS

2009-09-14 Thread Eleanor Dodson
Yes - I have had a similar problem.. We need a reply from Garib.. Eleanor Alasdair K. Mackenzie wrote: Greetings CCP4-ers, I have been running some TLS refinement which does wonders for my R/Rfree values, but seems to give some spurious Bfactors/ADPs for the waters, e.g. B= 2. These low Bfa

Re: [ccp4bb] Low Bfactor values for waters after TLS

2009-09-11 Thread Huw Jenkins
On 11 Sep 2009, at 09:46, Alasdair K. Mackenzie wrote: I have been running some TLS refinement which does wonders for my R/ Rfree values, but seems to give some spurious Bfactors/ADPs for the waters, e.g. B= 2. I am getting this too but not just for waters - some example lines from the p

Re: [ccp4bb] Low Bfactor values for waters after TLS

2009-09-11 Thread Roberto Steiner
Hi Alasdair On 11 Sep 2009, at 09:46, Alasdair K. Mackenzie wrote: Greetings CCP4-ers, I have been running some TLS refinement which does wonders for my R/ Rfree values, but seems to give some spurious Bfactors/ADPs for the waters, e.g. B= 2. These low Bfactors appear relatively consistent

[ccp4bb] Low Bfactor values for waters after TLS

2009-09-11 Thread Alasdair K. Mackenzie
Greetings CCP4-ers, I have been running some TLS refinement which does wonders for my R/Rfree values, but seems to give some spurious Bfactors/ADPs for the waters, e.g. B= 2. These low Bfactors appear relatively consistent with the residual protein B-factors (i.e. the pdb output from REFMAC), but