Re: [ccp4bb] R too low?

2013-07-05 Thread Eleanor Dodson
You have obviously solved this problem, but one thing that can change apparent Rfactors is the number of reflections accepted.. If one gives you 5% more very weak reflections say, then those will inevitably have high Rfactors and this can increase the apparent Rfactor without changing the map

Re: [ccp4bb] R too low?

2013-06-27 Thread Roberts, Sue A - (suer)
Hello Everone, Thanks for all the help. The key to finding the problem was following up on Tim Gruene's suggestion to compare the data sets directly. It appears that an error occurred during conversion from I to F - until I find the log file for the conversion, I can't guess what was done.

[ccp4bb] R too low?

2013-06-26 Thread Roberts, Sue A - (suer)
Hello Everyone I have two data sets, from the same crystal form (space group P32) of the same protein, collected at 100 K at SSRL, about 2.2 A resolution, that refining to R = 0.14, Rf = 0.26 (refmac/TLS). This is a molecular replacement solution, from a model with about 40% homology (after

Re: [ccp4bb] R too low?

2013-06-26 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Sue, if you made your rmsd (bonds) 20-30 times smaller I would agree they were not too loose. 0.14A is pretty high. So two suggestions: a) check the molprobity report of your PDB if its geometry is sane b) check the CC plot of one data set

Re: [ccp4bb] R too low?

2013-06-26 Thread Robbie Joosten
too) and see if it gives better refinement results. Cheers, Robbie -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Roberts, Sue A - (suer) Sent: Wednesday, June 26, 2013 17:45 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] R too low? Hello