With such good data you would expect lower R factors I agree.
I use all the COOT validation tools - Ramachandran, diff map peaks etc
to try to pinpoint errors.
Also anomalous difference maps hoping to verify S positions and check
the sequence fitting.
You could let Arp/Warp rebuild it from the existing model and check it
gives the same interpretation..
Can you get higher resolution data? It might be worth pushing the data
integration a bit further since I think Arp/Warp works better the higher
the resolution.
Eleanor
Juergen Bosch wrote:
> 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.
>> Research Associate
>> ------------------------------------------------------------
>> Faculty of Life Sciences
>> The University of Manchester
>> The Michael Smith Building
>> Oxford Road
>> Manchester Lancashire
>> M13 9PT
>> ------------------------------------------------------------
>> Tel: +44(0)161-275-1586
>> e-mail: [log in to unmask]
>> <mailto:[log in to unmask]>
>>
>>
>>
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>
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