Re: [phenixbb] Asymmetric unit content

I have calculated Mathews coefficient also, the probability shows five molecules in ASU. But it fails to convince my supervisor. On Mon, Dec 12, 2016 at 6:52 AM, wrote:

Compute Matthews coefficient. e.g. using http://www.ruppweb.org/mattprob/default.html

Oleg

-----Original Message----- From: "Sharan Karade" Sent: Sunday, December 11, 2016 6:05am To: [email protected] Subject: [phenixbb] Asymmetric unit content

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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.

-- Sharan C/O Dr. J V Pratap Senior Research Fellow, CSIR-Central Drug Research Institute, Lucknow

Oleg Borbulevych, Ph.D. Staff Scientist QuantumBio, Inc. 2790 W. College Ave. State College, PA 16801 E-mail: [email protected], [email protected] Linkedin Professional Profile: http://www.linkedin.com/pub/ oleg-borbulevych/22/454/b80

-- Sharan C/O Dr. J V Pratap Senior Research Fellow, CSIR-Central Drug Research Institute, Lucknow