Re: [ccp4bb] proton scattering by X-rays

2015-02-02 Thread Doug Ohlendorf
But, how with x-rays can one experimentally tell the difference between a hydrogen and a filled orbital (say of N)? I will grant that the electron density for a bound H should extend farther from the heavy atom but I believe you would need resolution better than 0.89 Ang to see this difference.

Re: [ccp4bb] protein stain, B-PER

2012-03-15 Thread Doug Ohlendorf
1. We like Bugbuster. You can get it at 10X concentration so it is fairly economical. We do add lysozyme and DNase as well. 2. We use the NuPage gels and SimplyBlue SafeStain and it works very well. We can run a gel in 20-30 min and have it stained and destained a hour later using the

Re: [ccp4bb] On sodium malonate

2012-02-01 Thread Doug Ohlendorf
Dialing, Malonic acid is dissolved in water and then pH adjusted to the desired value with NaOH. Caution: dissolving malonic acid is highly exothermic. Do it slowly, in a hood. Doug From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Dialing Pretty Sent: Wednesday,

Re: [ccp4bb] protein lost on membrane of centricon!!

2012-01-29 Thread Doug Ohlendorf
concentration. If you just remove the PEG without washing it will continue to concentrate. Doug Ohlendorf From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of rashmi panigrahi Sent: Saturday, January 28, 2012 9:55 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] protein lost

Re: [ccp4bb] Difficulty indexing diffraction, cell too small

2011-05-18 Thread Doug Ohlendorf
Related to manual indexing, 20 years ago I wrote a program to transform a list of peaks from the original Xentronics detector to points in reciprocal space. The peaks were written as a PDB file so the peaks (now waters) could be displayed on any graphics program. It was very useful for seeing and

Re: [ccp4bb] self rotation education

2010-03-18 Thread Doug Ohlendorf
Frances It looks like the 3-fold is combining with dyads to make a pseudo 432 arrangement. If you're of space group and that there is only one trimer in asymmetric unit, look internal structural similarity within a monomer. For instance, multiple similarly folded domains. Doug Ohlendorf

Re: [ccp4bb] Difference Map images

2009-06-18 Thread Doug Ohlendorf
Tim, Not really. Fo's can be viewed as having 3 parts. 1) F from our modeled structure, 2) F from what we can't model. This can be bulk solvent, partial or multiple occupancies in low resolution structures, thermal anisotropy , etc. 3) F from random errors in measuring data. The first F is what

Re: [ccp4bb] Difference Map images

2009-06-17 Thread Doug Ohlendorf
Andy, One important thing if your complex crystals are isomorphous with apo is to use nFo(complex) - Fo(apo). These maps give the maximum information as the uninterpretable 'stuff' in the Fo-Fc map is likely quite similar in both crystal forms so the difference signal should be cleaner. Douglas

Re: [ccp4bb] Difference Map images

2009-06-17 Thread Doug Ohlendorf
: http://biosci.cbs.umn.edu/bmbb/ohlen_lab/index.html -Original Message- From: Ian Tickle [mailto:i.tic...@astex-therapeutics.com] Sent: Wednesday, June 17, 2009 12:08 PM To: Doug Ohlendorf Cc: CCP4BB@JISCMAIL.AC.UK Subject: RE: [ccp4bb] Difference Map images Hi Douglas Do you have