Dear Dean,

You have already received excellent insight into radiation effects on metals. 
From personal experience, it doesn't take long for the metal occupancy to go 
down to 80%. Of course it is not anywhere near "disappearing" but then again, 
we don't know the details of your data collection and of how disappeared are 
your disappeared metals.

I will only add that you can use modern approaches to data collection to 
minimize the adverse effects of radiation.

1. Do not chase the highest resolution and try to get what is enough to make 
your enzymologic statements valid. I.e. use less dose.
2. If your crystals diffract poorly, consider using several crystals to merge 
few sets of underexposed data.
3. For each crystal, use some sort of grid scanning (we call it rastering) to 
estimate the crystal quality. It is implemented on many beamlines worldwide. I 
will insert a shameless plug here and others can follow the suite... See 
Hilgart et al., pages 717-722 here: 
http://journals.iucr.org/s/issues/2011/05/00/issconts.html
4. Select the better diffracting regions of the crystal and use "vector" or 
"helical" data collection whereby your crystal is being translated along the 
specified vector as data is being collected. This feature is also implemented 
on number of beamlines, including ours (see the reference above).

All these steps are designed for one goal - to spread the total dose over as 
much diffracting volume as possible and thus minimize the damage.

Hope it helps,
N.

Ruslan Sanishvili (Nukri)
Macromolecular Crystallographer
GM/CA@APS
X-ray Science Division, ANL
9700 S. Cass Ave.
Lemont, IL 60439

Tel: (630)252-0665
Fax: (630)252-0667
rsanishv...@anl.gov

________________________________
From: CCP4 bulletin board [CCP4BB@jiscmail.ac.uk] on behalf of Dean Derbyshire 
[dean.derbysh...@medivir.com]
Sent: Wednesday, April 30, 2014 5:33 AM
To: CCP4BB@jiscmail.ac.uk
Subject: [ccp4bb] metals disapear

Hi all,
Has anyone experienced catalytic metal ions disappearing during data collection 
?
If so, is there a way of preventing it?
D.

   Dean Derbyshire
   Senior Research Scientist
[cid:image001.jpg@01CF6470.5FA976D0]
   Box 1086
   SE-141 22 Huddinge
   SWEDEN
   Visit: Lunastigen 7
   Direct: +46 8 54683219
   www.medivir.com<http://www.medivir.com>

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