[ccp4bb] SHELX as model building

2010-10-31 Thread Rojan Shrestha
Hello I have been using ARP/WRAP to trace the initial model. Now, I am interested to use SHELX for this purpose. Does somebody know that which package of SHELX can be used as the auto tracing of main chain? Regards, Rojan

[ccp4bb] whether the 2Fo-Fc composive omit or the sigmaa weighted 2mFo-DFc map has more model bias?

2010-10-31 Thread Hailiang Zhang
Hi there, I am using the following script to calculate the composive omit map: ./omit hklin ${f}.mtz mapout ${f}.map <

Re: [ccp4bb] Strange spots

2010-10-31 Thread Colin Nave
The detector issue could be resolved by moving it to a different distance and recording the pattern again. In the absence of further info, my vote goes for James Holton's explanation - the effect could be due to optocal misaligenment Colin > -Original Message- > From: CCP4 bulletin board

Re: [ccp4bb] Strange spots

2010-10-31 Thread John R Helliwell
Dear Jurgen and Petr, I looked at the Princeton incommensurate link kindly provided by Petr. I see your point ie examples of a grouping of subsidiary spots around a central spot. But not continuous circles. I have now checked the Atlas of Optical Transforms (my office copy en route to Manchester

Re: [ccp4bb] How to get PDB of small molecule which is not available in data base..??

2010-10-31 Thread Miri Hirshberg
Sun. Oct. 31st, 2010 EBI Dear Hussey, there are many paths to take. Try PDBe (PDB Europe) http://www.ebi.ac.uk/pdbe-site/pdbemotif/ draw your molecule and search. Miri - PDBe

Re: [ccp4bb] DNA-protein complex.

2010-10-31 Thread Poul Nissen
Dear dengzq1987 (Gmail Research Institute?) You could use ammonium acetate as the solubilizing salt. It evaporates as ammonia and acetic acid, so that the ionic strength is gradually reduced by vapor diffusion. You would then have e.g. PEG in the reservoir and added to the drop, and you could a

[ccp4bb] DNA-protein complex.

2010-10-31 Thread dengzq1987
Hi all, I want to sovle the structrue of ssDNA -protein complex.but the protein are unstable at low salt concentration,so we use 1M Nacl in the buffer. the high salt content may disrupt the complex.and I don't know which ssDNA lenght try fist.any suggestion or experience are welcome. thank