Re: [ccp4bb] High Wilson B

It is hard to get a resonable estimate of Wilson B with 4.5A to 3A data, but yes - if the crystal stops diffracting at 3A that seems reasonable to me Eleanor Michael Colaneri wrote: Dear colleagues, I have a B of 75A**2 from Wilson statistics 4.7 to 3 A res, good straight line. Has anyone

[ccp4bb] struggling with molecular replacement

hi, everyone! I am struggling with my crystal structure in a very big unit cell. my protein is about 16KDa. probably there are about 20 molecules in the asymmetric unit. I tried to use molecular replacement to solve the structure. However, there is only one NMR structure available for me. The

Re: [ccp4bb] unknown density in structure

Oxalate. Sometimes forms when PEGs get old and begin to oxidize. That's some of the stuff that is responsible for PEG's becoming progressively more acidic as they age. No idea if you have PEG in solution or not. Alternative - CH3-C(=O)-COOH Disordered dimethyl formamide Dimethyl acetamide

[ccp4bb] Crystallography short courses?

I am looking for information on short courses on data collection, processing, and refinement. Thanks, Kendall -- Kendall W. Nettles, PhD Assistant Professor Department of Cancer Biology The Scripps Research Institute 5353 Parkside Dr.  Jupiter Fl 33458 office 561-799-8851 fax 561-799-8805 cell

[ccp4bb] oxalate

As Anthony and Jeremy suggested, I tried to fit oxalate into the density. It perfectly matches the density. Thank all of you. I should read more papers now to make it sense.

Re: [ccp4bb] density map

Could it be an oxalate? O2C-CO2 Just a guess Anthony Anthony Addlagatta, PhD Institute of Molecular Biology University of Oregon Eugene, OR-97403 Phone: (541) 346-5867 Fax: (541)346-5870 Web: http://uoregon.edu/~anthony On Jul 26, 2007, at 3:10 PM, Wu,

Re: [ccp4bb] density map

It would help if you would also show surrounding atoms. Garib On 26 Jul 2007, at 23:10, Wu, Mousheng wrote: Here is the extra density map in my structure. It is too big for glycerol although I used glycerol as cryoprotectant. Thanks for your quick responses. Mousheng density.TIF

[ccp4bb] unknown density in structure

Hi, everyone, I am recently solving a structure at 1.8A. After I fitted all residues into the model, I found that there was an extra density in a pocket consisted of E, N, R and other hydrophobic residues. The density is strong and connected like a butterfly. I checked the crystallization

Re: [ccp4bb] High Wilson B

Agreed. Lots of thermal action is reflected in a high Wilson B and is consistent with a low diffraction limit: if average I keeps decreasing with resolution, it has to go below the limit of measurement at a lower resolution than a more sedate crystal, which will have a lower B and a higher

[ccp4bb] initial model built in Fo map not refining

Hello, I have a SAD data set to 2.9A and a native data set on the same protein to 2.3A. I have built 70% of the model (polyalanine) into the SAD experimental map that has been subjected to 2-fold NCS averaging and phase-extended to 2.3 A. From the maps, the model looks like it fits the density

Re: [ccp4bb] struggling with molecular replacement

It might be worth it to try phaser Wu, Mousheng wrote: hi, everyone! I am struggling with my crystal structure in a very big unit cell. my protein is about 16KDa. probably there are about 20 molecules in the asymmetric unit. I tried to use molecular replacement to solve the structure.

Re: [ccp4bb] unknown density in structure

There are four molecules in the asymmetric unit. And this density is present in every molecules. -Original Message- From: ANA MARIA MISIC [mailto:[EMAIL PROTECTED] Sent: Thursday, July 26, 2007 5:24 PM To: Wu, Mousheng Subject: Re: [ccp4bb] unknown density in structure Hi Mousheng -

[ccp4bb] eCheminfo Drug Discovery Workshop, Oxford, September 10-14

We are holding an eCheminfo Drug Discovery Workshop week at Oxford University, UK the week of 10-14 September 2007. The approach will be hands-on using leading drug discovery software packages, accompanied by practitioner-led lectures and discussions of the methods worked on by the group. Topics