George,
Remember that scattering from every point in the cell contributes to every
reflection; the R-value is a global metric of agreement between the model and
the data. Hence, calculating the R-value for a few selected residues is not a
sensible thing to do, unless you want to ask how well yo
On 05/06/14 16:10, George Devaniranjan wrote:
Hi,
First off I am pretty new to CCP4/X-ray crystallography so please bear
with me as I try to explain my question.
I was looking at a protein structure from the PDB (let's say 1aho.pdb).
I have the corresponding MTZ file. I wanted to calculate t
Hi George,
The R-factor is an overall disagreement statistic, it can not be broken down in
parts for bits of the structure.
(in other words, you can not correlate parts of the model with a subset of the
reflections in the mtz, as a non-crystallographer might think - all the
electrons in the as
Hi,
First off I am pretty new to CCP4/X-ray crystallography so please bear with
me as I try to explain my question.
I was looking at a protein structure from the PDB (let's say 1aho.pdb).
I have the corresponding MTZ file. I wanted to calculate the R-factor for
some selected residues (lets say 1
