[ccp4bb] Sorry typo:Re: [ccp4bb] Discrepancy in His library used by CCP4 and Molprobity?

[Fei Long]

It should be

The new value from aceDRG and the latest version of CCP4 monomer lib will
be about 1.32.

Fei

Dear Jan,

It is a bug in aceDRG. It has been fixed in aceDRG and the latest version
of CCP4 monomer lib. It will be in the next CCP4 updating.

Thanks,

Fei




Hi all,

while validating X-ray structure using Molprobity (web service), we got
systematic outlier flags on CE1-NE2 distance in histidines. The distance
is 1.36A.

I have tested it also using high resolution lysozyme structure, I have
laying around. There the distance refines as 1.31A and Molprobity is
happy, but when Bong Angels are called in Coot (Regularize zone button
:-)) the bond length goes to 1.36A and Molprobity  is unhappy again.

So I would like to ask, who is right or where else the problem can be.

Best regards,

Jan

P.S. CCP4 is version 8.0.002



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-- 
Dr Fei Long
Structural Studies Division
MRC Laboratory of Molecular Biology
Francis Crick Avenue,
Cambridge Biomedical Campus,
Cambridge
CB2 0QH UK
Email:fl...@mrc-lmb.cam.ac.uk
Tel:+44 1223 402200



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[ccp4bb] sorry for spamming

[Alexandre OURJOUMTSEV]

Dear all,


sorry for spamming your mail boxes - there is a bug in our system.


Best regards,


Sacha

Re: [ccp4bb] sorry, sort of off topic

[Dean Derbyshire]

Thanks everyone for the info coming in.. another related: is there such a thing 
as a trade fair for crystallography... or should I attend the biggest 
conferences?

ta again

Dean


From: Dean Derbyshire
Sent: 27 March 2014 13:35
To: CCP4BB@JISCMAIL.AC.UK
Subject: sorry, sort of off topic


I'm after suggestions as to where the best place(s) for obtaining info on 
latest equipment - advances in techniques etc.  Oh, for protein crystallisation 
and screening ahead of data collection!

cheers

Dean

Re: [ccp4bb] sorry, sort of off topic

[Navdeep Sidhu]

Hi Dean:

Why not check out this excellent book:

Bergfors, T., Editor. Protein Crystallization: Second Edition. 2009. 
International University Line, La Jolla, California, 500 pp.
http://xray.bmc.uu.se/terese/buybook.html

By the way, the 1st edition has some extra information that's unfortunately not 
part of the 2nd one. So you can try to get that one too.

Best,
Navdeep


---
On Thu, Mar 27, 2014 at 12:35:38PM +, Dean Derbyshire wrote:
> I'm after suggestions as to where the best place(s) for obtaining info on 
> latest equipment - advances in techniques etc.  Oh, for protein 
> crystallisation and screening ahead of data collection!
> 
> cheers
> 
> Dean


---
Navdeep Sidhu
University of Goettingen
---

[ccp4bb] sorry, sort of off topic

[Dean Derbyshire]

I'm after suggestions as to where the best place(s) for obtaining info on 
latest equipment - advances in techniques etc.  Oh, for protein crystallisation 
and screening ahead of data collection!

cheers

Dean

[ccp4bb] sorry

[Eleanor Dodson]

Oh dear - Apologies. I sent the ctruncate filre to the whole BB - maybe 
you SHOULD all update the distributed one from 6.1.1  but I didnt mean 
to do it that way..


 Eleanor