-----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 limit. 48A^2 for a 2.4A structure sound perfectly fine with me, I would not worry provided that all other statistices seem sound. High solvent content surely affects the B-values. The larger the solvent channels and smaller the contact area between the molecules, the more likely they become less stable and less ordered. R and Rfree seem also very good, although the gap is relatively tight. Did you make sure your Rfree set contains at least 500 reflections? The default of 5% often used, can lead to fewer reflections than 500 at medium or low resolution, and with less than 500 reflection Rfree becomes statistically meaningless - at least according to Axel Brunger's article about that topic. Cheers, Tim On 05/16/12 15:46, Qiang Chen wrote: > 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 the b-factors? > > Thanks a lot! > > Qiang > > > The information in this e-mail is intended only for the person to > whom it is addressed. If you believe this e-mail was sent to you in > error and the e-mail contains patient information, please contact > the Partners Compliance HelpLine at > http://www.partners.org/complianceline . If the e-mail was sent to > you in error but does not contain patient information, please > contact the sender and properly dispose of the e-mail. > - -- - -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.12 (GNU/Linux) Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ iD8DBQFPs7RgUxlJ7aRr7hoRAnS8AJ472kwIWxf7rqDOhEPSBG5ipvQOWQCeNHNk bum4yGTB56Wtt0JbkixleCw= =uIfE -----END PGP SIGNATURE-----
