How does the Molprobity report look like ?
How many Rama outlieres, bad Cbeta, rotamers ?
What's your percentile ?
Look at the multicriterion chart to fix your problems :-)
http://molprobity.biochem.duke.edu/
Juergen
Yongchao Li wrote:
> Dear all,
> Thanks for all replies.
> After water addition, R work is 0.27 and R free 0.33.
> TLS and NCS results no significant approve.
> Space group seem right, other space group like P21212 is worse.
> From truncate result, it is not twinning.
>
> More detail is below:
> space group P212121 a=150.099 b=148.581 c=153.429
> resolution: 2.0 A
> completeness: 92.3 % (58%), near complete to 2.15 A.(last shell 90.7%)
> Rsym: 0.076 (34.0)
> I/sigma = 20 (2.5)
>
>
>
> */Chavas Leo <[log in to unmask]>/* wrote:
>
> Dear Li,
>
>> I don't know how to reduce them.
>
>
> I second Tim in the fact that you should give more details on what
> you tried to do as well as your statistics (resolution, data
> quality etc.). For instance, did you had water molecules? Did you
> try TLS refinement? Do you have a wrong symmetry?
>
> HTH.
>
> Kind regards.
>
> Leo
> ------------------------------------------------------------
> Chavas Leonard, Ph.D.
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>
>
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Jürgen Bosch
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