Re: [ccp4bb] High Rfac/Rfree for a 1.6A reso structure

2007-08-17 Thread Juergen Bosch
Santarsiero, Bernard D. wrote: On Fri, August 17, 2007 10:56 am, Eleanor Dodson wrote: There are obvious ones like - incomplete structure etc, but have you tried TLS? Sometimes this can dramaticaly improve the R factors. When people run TLS, are they trying to improve the R-factor

Re: [ccp4bb] High Rfac/Rfree for a 1.6A reso structure

2007-08-17 Thread Eleanor Dodson
There are obvious ones like - incomplete structure etc, but have you tried TLS? Sometimes this can dramaticaly improve the R factors. You seem to have lost of lot of the low resolution data - could this mean you had overloads which naybe could be rescued.. That can down grade the maps a good

Re: [ccp4bb] High Rfac/Rfree for a 1.6A reso structure

2007-08-17 Thread Peter Zwart
Hi Elisabetta Your unit cell is pseudo F222, with twin law (-h,-k,h+k+l): iotbx.explore_metric_symmetry --unit_cell="47.7533.6191.04 90.000 103.635 90.000" --space_group=C2 (output below) Did you rule out twinning? Try runing phenix.xtriage for some intensity stats and/or phenix.refine