By 'on the same scale' do you mean it is 40% of the height of the K=120
peak?
Could it be a 'tail' of the kappa=120 degree peak? If you look at 95,
100, 110 etc does the peak persist and get stronger? I'm not sure how
meaningful this would be, but I just had a look at the polarrfn output
of a C2 dataset and I can still see 40% of the K=180 peak present at K=150.
Cheers,
Charlie
Francis E Reyes wrote:
> Ian
>
> Thanks for the quick reply. I enclose the missing kappa=90 slice. It is
> on the same scale as the kappa=180 slice. The log doesn't report any
> peaks for the kappa=90 slice (using a 10 sigma cutoff). The unit cell
> parameters are 104.63 104.63 109.80, 90 90 120 and based on the contents
> of my molecule, matthews_coeff is 2.34 with 64% solvent content for 4
> molecules per asu. 4-fold ncs it is then?
>
> Thanks
>
> FR
>
>
>
> On Jul 21, 2009, at 4:47 PM, Ian Tickle wrote:
>
>>> -----Original Message-----
>>> From: [log in to unmask] [mailto:[log in to unmask]]
>> On
>>> Behalf Of Francis E Reyes
>>> Sent: 21 July 2009 22:22
>>> To: [log in to unmask]
>>> Subject: Self Rotation map in R32?
>>>
>>> Hi all
>>>
>>> I'm trying to understand why there is a peak that is perpendicular to
>>> the c axis on my kappa = 180 and kappa = 90?
>>
>> On the kappa = 180 section they are the 3 crystallographic 2-folds perp
>> to the cryst 3-fold parallel to c.
>>
>> On kappa = 90 a peak would be a 4-fold but since there's no obviously no
>> crystallographic 4-fold in R32, that would imply 4-fold NCS, which would
>> be unusual. You didn't post your kappa=90 section so we can't tell if
>> it really is a significant peak.
>>
>>> The chapter entitled "Characterizing a Crystal From an Initial Native
>>> Dataset" from Sawaya says that R32 shouldn't have a central peak in
>>> kappa = 180 nor 90.
>>
>> Not sure what you mean by 'central peak', the peak in the middle of the
>> kappa=180 section is the crystallographic 3-fold so that's unavoidable
>> in R32. Again any peak on kappa=90 would depend on what kind of NCS you
>> have. How many mols/a.u. do you estimate?
>>
>> HTH!
>>
>> -- Ian
>>
>>
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>
> ---------------------------------------------
> Francis Reyes M.Sc.
> 215 UCB
> University of Colorado at Boulder
>
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--
Charlie Bond
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University of Western Australia
School of Biomedical, Biomolecular and Chemical Sciences
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