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CCP4BB  July 2009

CCP4BB July 2009

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Subject:

Re: Self Rotation map in R32?

From:

Charlie Bond <[log in to unmask]>

Reply-To:

Charlie Bond <[log in to unmask]>

Date:

Wed, 22 Jul 2009 09:50:15 +0800

Content-Type:

text/plain

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Parts/Attachments

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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
> 
> gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D
> 
> 8AE2 F2F4 90F7 9640 28BC  686F 78FD 6669 67BA 8D5D
> 

-- 
Charlie Bond
Professorial Fellow
University of Western Australia
School of Biomedical, Biomolecular and Chemical Sciences
M310
35 Stirling Highway
Crawley WA 6009
Australia
[log in to unmask]
+61 8 6488 4406

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