Re: [ccp4bb] MR question

- Protein crystallography

Main steps:

- Protein purification
- Crystallisation

Special:

- Programs for crystallography
- X-ray detectors

Basic tutorials:

   - Chemistry
   - Protein
   - Peptide
   - Amino Acids

Xtal community:

- CCP4BB

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: Error in CAD during ARP/wWARP run in sharp/autoSHARP - also posted in sharp discuss
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2009-12-14

Next message:
Subject: question about refmac/coot findwater
From: Boaz Shaanan bshaanan {- at -} BGU {- dot -} AC {- dot -} IL
Date: 2009-12-14

Subject: Re: MR question
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2009-12-14

The 2nd peak is a shoulder of the origin peak at 1.0 0 0 so should be
ignored..

The 3rd peak is 16% of the origin - rather marginal I would say. So I
dont think there is clear evidence of translational NCS

Eleanor

Sylvia Fanucchi wrote:
>
>
> Morning all
>
> Apologies for the simple question. I have a structure I would like to
> solve using molecular replacement. I am a bit confused by the patterson
> peaks. There appears to be a large non-origin peak (although it is
> apparently symmetry-related to the origin?). Does this mean that there
> is some translation occurring in the asymmetric unit? Or is there
> non-crystallographic symmetry? Does anyone know what I should do to
> address this? I have continued with the molecular replacement as normal
> and did not get a solution with Phaser. Molrep gives a solution that
> appears correct based on the maps and refines reasonably well.
>
> Count Site Height Grid Fractional coordinates
> Orthogonal coordinates
>
>
>
> 1 1 100.00 0 0 0 0.0000 0.0000 0.0000 0.00
> 0.00 0.00
>
> 2 1 67.16 33 0 0 0.9706 0.0000 0.0000 41.11
> 0.00 0.00
>
> 3 2 16.59 10 0 2 0.3070 0.0000 0.0304 13.00
> 0.00 2.51
>
> 4 3 16.54 24 0 2 0.6920 0.0000 0.0317 29.30
> 0.00 2.63
>
> 5 4 14.24 17 0 3 0.5034 0.0000 0.0447 21.31
> 0.00 3.70
>
> 6 5 14.19 20 0 3 0.5763 0.0000 0.0507 24.40
> 0.00 4.20
>
>
>
> Best regards
>
> Sylvia Fanucchi Ph.D
>
> Protein Structure-Function Research Unit
> East Campus, Gate House Room 416
> School of Molecular and Cell Biology
> University of the Witwatersrand
> Johannesburg 2050
> South Africa
>
> Tel: +27 (11) 717-6348 Fax: +27 (11) 717-6351
> E-mail: Sylvia.Fanucchi@wits.ac.za
>
>
>
>
>

This communication is intended for the addressee only. It is confidential. If you have received this communication in error, please notify us immediately and destroy the original message. You may not copy or disseminate this communication without the permission of the University. Only authorized signatories are competent to enter into agreements on behalf of the University and recipients are thus advised that the content of this message may not be legally binding on the University and may contain the personal views and opinions of the author, which are not necessarily the views and opinions of The University of the Witwatersrand, Johannesburg. All agreements between the University and outsiders are subject to South African Law unless the University agrees in writing to the contrary.

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Next message:
Subject: question about refmac/coot findwater
From: Boaz Shaanan bshaanan {- at -} BGU {- dot -} AC {- dot -} IL
Date: 2009-12-14