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"
________________________________________________
De: Winter, Graeme
(DLSLtd,RAL,LSCI)<mailto:[email protected]>
Enviado:segunda-feira, 19 de setembro de 2022 16:27
Para: [email protected]<mailto:[email protected]>
Assunto: Re: [ccp4bb] Multiplicity is more than 20
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, at 20:32, Prasun Kumar <[email protected]> wrote:
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 Rfree/ Rwork: 0.21/0.19
Problems:
According to Aimless, Multiplicity: 33.9, and I understand that the value
should be less than or equal to 20. Does it mean that I have a lot of random
noise or ice rings or something similar?
For the inner shell, R work is also higher than R free.
Please guide me in solving the above issue.
Thank You
Prasun
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