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 deal
Eleanor
Sabini, Elisabetta wrote:
Dear all,
I have a structure at 1.6A. At the end of refinement the Rfactor and Rfree
are quite high (23/29.6%). Here are some info:
Morphology of crystals: large but thin plates (150 x 400 x 20 microns)
Number of residues: 160 (2 x 80); 103 water molecules
Space group: C2
Unit Cell: 47.75 33.61 91.04 90.000 103.635 90.000
Data is a merge of a low resolution and high resolution sweep. The
correlation between the two data sets is:
DATA SETS NUMBER OF COMMON CORRELATION RATIO OF COMMON B-FACTOR
#i #j REFLECTIONS BETWEEN i,j INTENSITIES (i/j) BETWEEN i,j
1 2 4049 0.973 1.0002 0.0001
I include the data collection and refinement statistics in the attachment.
Can you please suggest to me possible reasons for the high Rfact and Rfree?
Thanks,
Elisabetta.
