Re: [ccp4bb] Zinc or Iron binding protein, that is a question!

2009-08-06 Thread Guenter Fritz
Hi Xuan, I guess your protein is not an E.coli protein. There are several examples that eukaryotic Zn-proteins expressed in E.coli contain Fe instead of Zn. I am sceptic whether IMAC with different metal ions will give the solution of the problem. If you really want to get information on the

Re: [ccp4bb] refmac5 error message

2009-08-06 Thread Ezra Peisach
Vesna Serrano wrote: Dear all, I am using Refmac_5.5.0088 in CCP4 6.1.0, linux version. The program runs well normally, but all of a sudden it failed with the following message: Refmac_5.5.0088: Open failed: File: /tmp/vesna/refmac5_temp1.06489.txt. Here is the log file of the run: #CCP4I

Re: [ccp4bb] Zinc or Iron binding protein, that is a question!

2009-08-06 Thread George M. Sheldrick
Since you sent your question to CCP4bb you presumably have crystals! In that case an excellent way to check which metal atoms you have in which sites is to collect datasets at a synchrotron at suitably chosen wavelengths and look at the anomalous maps. For an example see Acta Cryst. D62 (2006)

[ccp4bb] PHASER packing function with DNA

2009-08-06 Thread LEDU Marie-Helene 161111
Dear CCP4BBer, I'm using Phaser 2.1.4 to solve a structure containing both protein and DNA. The packing function works find with the protein, but does not recognize the trace of the DNA. Does anyone know precisely what should be the pdb format ? Here is the format that I'am using : ATOM 1 P

Re: [ccp4bb] PHASER packing function with DNA

2009-08-06 Thread LEDU Marie-Helene 161111
Hi, Thanks a lot for the replies. It seems that Randy¹s solution works fine. Marie-Ln Le 6/08/09 13:54, « Randy Read » rj...@cam.ac.uk a écrit : Hi, That's actually the last question answered on our FAQ page! http://www-structmed.cimr.cam.ac.uk/phaser/faq.html Basically, you'll want

Re: [ccp4bb] Zinc or Iron binding protein, that is a question!

2009-08-06 Thread Xuan Yang
Dear Mr. Fritz, Yes, the protein is not an E.coli protein! Instead, it was cloned from a virus. And since it was a nonstructural viral protein, I thought it might be appropiate to treat it as eukaryotic proteins. E.coli system was quite different from eukaryotic ones, hence I was quite cautious

Re: [ccp4bb] Zinc or Iron binding protein, that is a question!

2009-08-06 Thread Marius Schmidt
Long time ago I had a superoxide dismutase that was active with iron as well as manganese. No matter what functional metal (Fe or Mn) was bound a substantial fraction up to 1/3 of the molecules had the (non-functional) Zinc in their metal binding site (found by AAS and EXAFS). Zinc is

[ccp4bb] Protein Production Senior Scientist Vacancy

2009-08-06 Thread Moraes, Isabel
Protein Production Senior Scientist Job Description: Based at Abingdon, Oxfordshire, Evotec offer integrated services which cover the entire drug discovery and development process. Our skills and expertise make us the clear partner of choice for the world's major pharmaceutical and

Re: [ccp4bb] Zinc or Iron binding protein, that is a question!

2009-08-06 Thread Roger Rowlett
As others have implied, quantifying metals in metalloproteins is very challenging. In my experience, the principal problems are (1) adventitious metal contamination, (2) accurate measurement of protein concentration, and (3) weak metal binding. Zinc and iron are ubiquitous microcontaminants,

Re: [ccp4bb] Mosaicity beam divergence

2009-08-06 Thread Richard Gillilan
Sorry, I meant to say does divergence add to the reported mosaicity value. If so, do actual mosaicity and divergence add in quadrature to give the reported value? On Aug 6, 2009, at 6:14 PM, Richard Gillilan wrote: Does anyone know if beam divergence gets included in the mosaicity values

Re: [ccp4bb] Mosaicity beam divergence

2009-08-06 Thread James Holton
Richard Gillilan wrote: Sorry, I meant to say does divergence add to the reported mosaicity value. If so, do actual mosaicity and divergence add in quadrature to give the reported value? Not sure what denzo does, but in general if you convolute two things that have a Gaussian distribution,

Re: [ccp4bb] Mosaicity beam divergence

2009-08-06 Thread Zbyszek Otwinowski
Richard Gillilan wrote: Sorry, I meant to say does divergence add to the reported mosaicity value. If so, do actual mosaicity and divergence add in quadrature to give the reported value? Yes, they do add in quadrature, the total is reported by scalepack and HKL2000 (if postrefinement is