[phenixbb] Asymmetric unit content

Pavel Afonine pafonine at lbl.gov
Mon Dec 12 07:02:11 PST 2016

In addition (to Oleg's suggestion): compute Polder map too!

On 12/12/16 22:52, oleg at quantumbioinc.com wrote:
> Compute Matthews coefficient.
> e.g. using
> http://www.ruppweb.org/mattprob/default.html
> Oleg
> -----Original Message-----
> From: "Sharan Karade" <sharankarade at gmail.com>
> Sent: Sunday, December 11, 2016 6:05am
> To: phenixbb at phenix-online.org
> Subject: [phenixbb] Asymmetric unit content
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> phenixbb at phenix-online.org
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> Unsubscribe: phenixbb-leave at phenix-online.orgDear all,
>             I have solved the structure in C121 space group, having five
> molecules in asymmetric unit, my supervisor have doubt about the fifth
> molecule becoz of poor density fit, if i delete the fifth molecule, there
> is a space for the molecule and crystal is not continuous, i calculated
> difference map from Phenix by deleting fifth molecule and got the Map
> showing presence of molecule. My supervisor want me to get SetMet data, but
> crystals are diffracting poor (7A). Is there any way to convince my guide.
> advance thanks for valuable suggestions.

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