Dear Charles,

I usually look at the course of CC1/2 (anom) across the resolution bins.
It should be high'ish at low resolution and a good resolution cut-off
for e.g. shelxd is where it drops below 30%.

The certainly by far best criteria is a traced structure (for a protein,
though). With shelx c/d/e that's easy to set up and test. If it cannot
be traced, this does not mean there is no useful anomalous signal, but
that's also true for all the other indicators - there are structures
being solved from anomalous data where the usual indicators indicate
hardly any signal at all.

E.g. the anomalous data available for 3LDC looks pretty hopeless:
Resl.   Inf.  7.77  4.78  3.60  2.94  2.52  2.22  1.99  1.81  1.67
<d"/sig>   1.10  0.95  0.84  1.01  0.99  0.95  0.83  0.73  0.71  0.66

yet, shelxd locates three out of 5 K+ ions (with lambda = 0.979A...)
within only 100 trials and no special settings.

Best,
Tim

On 09/04/2014 10:05 PM, CPMAS Chen wrote:
> Dear All CCP4 users,
> 
> Recently, I have protein crystals cocrytallized with Br-containing ligand.
> sometimes, I feel confusion about whether the data have reliable anomalous
> information or not.
> 
> Do you guys have some recommendation of the criteria? phenix reported
> anomalous measurability, CCP4/aimless has RCRanom. Sometimes, they are not
> consistent.
> 
> Thanks!
> 
> Charles
> 

-- 
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

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