And really we should not be using real space CC or real space R anymore
- not since Tickle 2012
(http://scripts.iucr.org/cgi-bin/paper?S0907444911035918)
EDSTATS is part of CCP4.
phx
On 04/02/2014 13:31, Bernhard Rupp wrote:
> interpretable electron density map is obtained to which most of your
protein model can be fitted properly. The primary numeric indication
for that are your R-factors.
Minor comment: The measure for the fit of the **model (density) to the
electron density** is actually a local real space correlation
coefficient or a local real space R value, not the global reciprocal
space R-values (not a **factor** in the mathematical sense, nor a
factor for anything else). The overall linear residual between model
structure factor amplitudes Fc and observed amplitudes Fo (aka
R(F)-value) is a global reciprocal space measure, which can be
affected by many other contributions causing the misfit between Fo and
Fc data, in addition to bad model, as already noted below.
ØThe high values you have suggest that either something is wrong with
your space group, twinning, etc. as Eleanor suggested, or your space
group and MR solution may be still correct but for a search model of
poor similarity with your crystal structure. Even in the later case,
at this resolution it is going to be very challenging to build and
refine a structure to reasonable R-factors starting from a poor model.
Hay
========================================
Hay DvirPh. D.
HeadTechnion Center for Structural Biology
TechnionHaifa 3200003, Israel
Tel:+(972)-77-887-1901
Fax:+(972)-77-887-1935
e-mailhd...@technion.ac.il <mailto:hd...@technion.ac.il>
Websitehttp://tcsb.technion.ac.il/Hay-Dvir
========================================
On Feb 4, 2014, at 11:36 AM, Shanti Pal Gangwar wrote:
Dear All
I have solved one structure by MR. The data data quality was poor so
the Rmerge was high. The resolution of the data is 3.3 Angstrom.The
refinement statistics are also very poor Rw/Rf= 40/42 %. After many
efforts we are not able to get reasonable Rw/Rf.
My question is "can it be claimed that we have solved the structure?"
Thanks in advance
--
********************
regards
Shanti Pal Gangwar
School of Life Sciences
Jawaharlal Nehru University
New Delhi-110067
India
Email:gangwar...@gmail.com <mailto:email%3agangwar...@gmail.com>
