Okay, I weigh in on the R factor issue...
The free R that we calculate is only an estimate of the "true free
R". What we really want to know is what would the R value be if there
there was no "bias" to the atomic model. We make this estimate by
pulling a subset of the data out of the r
Problematic is low multiplicity, not high, I’d say...
Best
Rafael Marques da Silva
Mestre em Física Biomolecular
Universidade de São Paulo
Bacharel em Ciências Biológicas
Universidade Federal de São Carlos
phone: +55 16 99766-0021
"A sorte acompanha uma mente bem treinada"
Hi Prasun
You just measured the reflections a lot. 33 is fine. More likely even with
cubic space groups
I’d love to know where you got the idea of the limit from. I have data sets
with more than 100 fold multiplicity
The R conversation I’ll leave to others
Best wishes Graeme
On 19 Sep 2022,
Hi All:
I have collected a dataset for a crystal of a 30 residues long helical peptide
that makes a trimer in the solution. I also solved the structure to get a
trimer. My issues start when I start preparing for a deposition.
Details about the data:
space group: I 21 3
Resolution: 1.6
Current
Dear Marion,
If you read in your corrected .cif file in Coot or your refinement program, it
will override the (default) CCP4 .cif file. You can also correct the installed
CCP4 .cif file. I once did this. However, these changes are lost when you
update the CCP4 installation, so best is to ask th
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