Re: [ccp4bb] Data collection of SAD (MAD) data of Copper-containing protein

- Protein crystallography

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- Crystallisation

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: Data collection of SAD (MAD) data of Copper-containing protein
From: "Santarsiero, Bernard D {- dot -} " bds {- at -} UIC {- dot -} EDU
Date: 2007-03-15

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Subject: Re: Data collection of SAD (MAD) data of Copper-containing protein
From: James Whisstock James {- dot -} Whisstock {- at -} MED {- dot -} MONASH {- dot -} EDU {- dot -} AU
Date: 2007-03-15

Subject: Re: Data collection of SAD (MAD) data of Copper-containing protein
From: Yi Xue yi-xue {- at -} NORTHWESTERN {- dot -} EDU
Date: 2007-03-15

So far, the native crystals diffracted best to 2.4A. The MAD data
diffracted to 2.6~2.7A. We attempted to use phenix.hyss to identify copper
atoms, and the program had hard time to identify the sites.

The protein: Cu ratio is around 1:1, which is decided by ICP-AES measurement
of the crystallization sample, not derived from the number of peaks in the
anomalous map.

The crystal contains copper as a cofactor, not a soaking derivative thing.

As to oligomerization, it could be dimer or trimer, however, we don't have a
model for it, since we dont know exactly, how does the drug link the
monomers.

I used phaser to do the MR, basically, what I did was to search one copy
each time, the top 20 solutions will be used to start the search of the
next copy. It stuck after finding four copies, and, I tried to change the
some paramters for searching, such as percentage for peaks, it did not help.
I would love the hear from experienced people about some tricks using phaser
to solve some difficult MR cases.

thanks a lot
Yi

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: Data collection of SAD (MAD) data of Copper-containing protein
From: "Santarsiero, Bernard D {- dot -} " bds {- at -} UIC {- dot -} EDU
Date: 2007-03-15