Re: [ccp4bb] correlations of B-factors and resolution

2012-05-16 Thread Garib N Murshudov
Please not that average B value may be arbitrary depending on data processing program, reference image etc. Average B values could be arbitrary (you can add to all atom single B value and it will not change information content of the data, they are removable). I think either variance of B or -

Re: [ccp4bb] correlations of B-factors and resolution

2012-05-16 Thread Qiang Chen
ntains fewer than > 500 reflections. It's amazing how much R-free is influenced by the choice > of ones test set. > > Cheers, > Robbie > >> Date: Wed, 16 May 2012 16:06:24 +0200 >> From: t...@shelx.uni-ac.gwdg.de >> Subject: Re: [ccp4bb] correlations of B-facto

Re: [ccp4bb] correlations of B-factors and resolution

2012-05-16 Thread Robbie Joosten
r. I do this automatically in PDB_REDO if the test set contains fewer than 500 reflections. It's amazing how much R-free is influenced by the choice of ones test set. Cheers, Robbie > Date: Wed, 16 May 2012 16:06:24 +0200 > From: t...@shelx.uni-ac.gwdg.de > Subject: Re: [ccp4bb

Re: [ccp4bb] correlations of B-factors and resolution

2012-05-16 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Qiang, without much explanation, rather from experience, the average B-factor rises as resolution drops. It does make sense in a way because high B-factors indicate some degree of disorder and disorder is usually the cause for the resolution limi

[ccp4bb] correlations of B-factors and resolution

2012-05-16 Thread Qiang Chen
Dear all, I have a 2.4A structure(pdb code 3LAF)with an average protein b-factor of 48. I wonder whether it's acceptable. Is there a direct correlation of b-factor and resolution? The R and Rfree are 21.1% and 23.1%, respectively. This structure has a very high solvent content, 75%. Does it affect