Garib
On 31 Jan 2006, at 18:46, Prem kumar wrote:
Hi,
I am refining atomic resolution (0.9 A) structure. I am facing problem with R-factor 15.2 and R-free 18.5 even after anisotropic refinement (including hydrogen), which is high for atomic resolution data. the model seems to be fine and almost every residues and water fitted well in electron density. i found few alternate conformation and included them for refinement, but still R-factor is not coming down. I tried different programs. shelx gives above said values. refmac gives 17.3 and 19.5. I followed steps mentioned in manual. I tried Arp/Warp too. Its able to build only 110 residues out of 121 residues with R-factor 21.0 and R-free 23.4.
data (synchrotron) was collected in two sets, one for high resolution and one for low resolution. Rsym - 5.0(55.0), I/sig I - 17.2(2.0), completness - 99.8(100).
what are the other factors I need to! look into?
Please suggest me how to proceed further.
Thanks in advance!
Regards
R. Prem Kumar
Research Scholar, Deptt. of Biophysics, AIIMS, New Delhi.
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