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Dear Prem,
have you checked for twinning? Since you have already an mtz file it would
be very easy to check your data with sfcheck
regards
Nikos
*************************************
Nikos Pinotsis, PhD
EMBL-Hamburg, c/o DESY
Notkestr. 85, Geb. 25A
22603 Hamburg, Germany
Phone : +49 40 89902144
Fax : +49 40 89902149
e-mail : [EMAIL PROTECTED]
*************************************
----- Original Message -----
From: Prem kumar
To: ccp4bb
Sent: Tuesday, January 31, 2006 7:46 PM
Subject: [ccp4bb]: R-factor not dropping
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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