On 26 Oct 2017, at 18:00, Vijaykumar Pillalamarri <[log in to unmask]> wrote:Thanks Nick.May be it is not that weak. The blue map contour level was set to 1.5. I have attached another image in which the blue map is contoured to 1.0. I feel the green density (contoured at 3.0) is not just some noise.On 26 October 2017 at 20:38, Nick Pearce <[log in to unmask]> wrote:Hi,Given the weakness and shapelessness of the density I doubt it is "one conformation of one thing", but rather a superposition of "one or more conformations of one or more things”. If that is the case then there probably isn’t enough information in the electron density or enough prior information to restrain a modelling approach — i.e. you could build a model that fit the density, but you could never determine if it was “correct”. I would probably just leave that bit un-modelled.Thanks,Nick—————————————————Nick (Nicholas) PearcePost-doctoral ResearcherLab of Piet GrosCrystal & Structural Chemistry GroupUniversiteit UtrechtOn 26 Oct 2017, at 16:53, Vijaykumar Pillalamarri <[log in to unmask]> wrote:Dear Dr. Vaheh,I tried fitting waters around Co but the positive density is still present even after refinement.Thanks,VijaykumarOn 26 October 2017 at 20:19, Oganesyan, Vaheh <[log in to unmask]> wrote:To the extent this electronic communication or any of its attachments contain information that is not in the public domain, such information is considered by MedImmune to be confidential and proprietary. This communication is expected to be read and/or used only by the individual(s) for whom it is intended. If you have received this electronic communication in error, please reply to the sender advising of the error in transmission and delete the original message and any accompanying documents from your system immediately, without copying, reviewing or otherwise using them for any purpose. Thank you for your cooperation.Water molecules completing Co coordination?
Regards,
Vaheh Oganesyan
From: CCP4 bulletin board [mailto:[log in to unmask]] On Behalf Of Vijaykumar Pillalamarri
Sent: Thursday, October 26, 2017 10:24 AM
To: [log in to unmask]
Subject: [ccp4bb] Unknown electron density
Dear ccp4bb,
I am solving the structure of a 1.6 Angstrom data of a metallo protein. While everything else is straight forward, this density (see the picture) seems unfamiliar to me. I don't see any thing fits in the density. This density present just above Histidine-Cobalt. What ever I try to fit, the molecule clahes with histidine ( I mean the distance between His and molecule is <2 Angstrom).
The crystallization condition is 0.1M Bistris, 19% PEG 3350 and 50% glycerol.
Any suggestions?
Thanks,
Vijaykumar Pillalamarri
UGC-SRF
C/O: Dr. Anthony Addlagatta
Principal Scientist
CSIR-IICT, Tarnaka
Hyderabad, India-500007
Mobile: +918886922975
--Mobile: +918886922975Hyderabad, India-500007CSIR-IICT, TarnakaPrincipal ScientistC/O: Dr. Anthony AddlagattaVijaykumar PillalamarriUGC-SRF--Mobile: +918886922975Hyderabad, India-500007CSIR-IICT, TarnakaPrincipal ScientistC/O: Dr. Anthony AddlagattaVijaykumar PillalamarriUGC-SRF