Re: [ccp4bb] Low-level disable ccp4i database...?

2009-04-21 Thread Frank von Delft
Thanks for that, that was in fact the fix. Or else, copy $CCP4I_TOP/etc/configure.def.dist to $CCP4I_TOP/etc/configure.def and then edit USE_DBCCP4I_ON_STARTUP If you don't have write permissions, copy it instead to ~/.CCP4/unix/configure.def Cheers ph

Re: [ccp4bb] Screening Condition Precipitates

2009-04-21 Thread Matthew Alan Bratkowski
Hi. I noticed long, needle crystals in that very condition (A1 using the Molecular Dimensions kit) for the protein that I am working with one day. I tried to optimize that condition not long ago using reagents in my lab. I did not have a problem with precipitation until using high concentrations o

[ccp4bb] Screening Condition Precipitates

2009-04-21 Thread Jacob Keller
Hi All, there is a condition in the JCSG+ screen (0.2M Li2SO4, 0.1M NaOAc pH 4.5, 50.0% v/v PEG-400) which forms heavy precipitate when made here in the lab. I assume that the order of addition of compounds might make a difference, but doesn't this suggest that there is a high probabilty for s

Re: [ccp4bb] How small is a microbeam?

2009-04-21 Thread Thomas Earnest
The other use for these ultra-small beams is to illuminate part of a larger xtal to find the best diffracting (or leat mosaic) regions and/or to raster out of the radiation damaged areas. This way even "large" xtals can benefit from this. Nukri should chime in on this point as well since GMCA-CAT

Re: [ccp4bb] How small is a microbeam?

2009-04-21 Thread Sanishvili, Ruslan
Yes Colin, of course you are right about the 20-30 micron flight path. I thought John's question was about micron-size beam, not the micron-size crystal. Reading it over, I saw my mistake. As for the micron-size crystals, manipulating those will be another fun task. Fortunately, tractor beams (whic

Re: [ccp4bb] How small is a microbeam?

2009-04-21 Thread Nave, C (Colin)
Hi Yes good data with a micron size beam but, in this case, the path length was 20- 30 micron. I presume one would like a complete data set rather than a single or a few processable images. If the latter, then in principle anything is possible provided background is minimised and a low dose approa

Re: [ccp4bb] How small is a microbeam?

2009-04-21 Thread Sanishvili, Ruslan
Hi Jon, You can indeed get data with 1 micron(ish) beam. See for example http://journals.iucr.org/d/issues/2008/02/00/wd5082/index.html Different question is whether there is any benefit in using micron size beam. It is subject of much work and discussion (e.g. http://www.nsls.bnl.gov/newsroom/eve

Re: [ccp4bb] How small is a microbeam?

2009-04-21 Thread Jon Wright
Sanishvili, Ruslan wrote: .. Reasons for discriminating 5-10 micron beams (minibeam) from ca 1 micron (microbeam) might have been not so much their size but what it involved to achieve these sizes. Might I ask - do you really get data from 1 micron protein crystals? The reduction in

[ccp4bb] pI for protein-detergent complexes

2009-04-21 Thread Joe
Hi, Is there a way to estimate pI for protein-detergent complexes? Thanks. Joe

Re: [ccp4bb] How small is a microbeam?

2009-04-21 Thread Sanishvili, Ruslan
Hi Richard, Interesting topic raise you did... On a philosophical level, I would define a microbeam as a beam which matches in size with a microcrystal. Then question becomes what is a microcrystal? If we wanted to be purely scientific, though, we should not be measuring anything in mm

[ccp4bb] How small is a microbeam?

2009-04-21 Thread Richard Gillilan
Just an interesting question of semantics that annoyingly comes up from time to time when people are comparing x-ray beam diameters. What counts as "microbeam?" Of course "micro" has the precise meaning in SI as being a factor of 10^-6. The problem is that the prefix "micro" just means "extr

[ccp4bb] Postdoctoral Associate Positions in Structural Biology

2009-04-21 Thread Xiaorui Chen
Postdoctoral Associate Positions in Structural Biology Two Postdoctoral Associate positions are immediately available in the Department of Biochemistry and Molecular Biology at Baylor College of Medicine. The first position is to focus on structural and functional studies of influenza virus. The

Re: [ccp4bb] My cysteines

2009-04-21 Thread Robert Esnouf
For other examples of oxidised cysteines you can look at our venerable series of reverse transcriptase structures... (Stuart, Stammers, Ren, Esnouf and others) residue 280 on the A chain, from memory. Regards, Robert -- Dr. Robert Esnouf, University Research Lecturer, Head of Bioinformatics an

[ccp4bb] Laura Silvian/Cambridge/Biogen is out of the office.

2009-04-21 Thread Laura Silvian
I will be out of the office starting 04/20/2009 and will not return until 04/27/2009. I will be checking email periodically.

[ccp4bb] Postdoc - Structural Biology of Hsp90 Complexes

2009-04-21 Thread Laurence Pearl
Postdoctoral Training Fellow - Structural Biology of Hsp90 Complexes Section of Structural Biology, ICR Chester Beatty Laboratories Chelsea, London, UK A Wellcome Trust-funded Postdoctoral position is available from 1st October 2009 in the laboratory of Professor Laurence Pearl FRS, in the

Re: [ccp4bb] My cysteines

2009-04-21 Thread Stephen Graham
How about an oxidised cysteine? Sulfenic acid is a possibility (http://en.wikipedia.org/wiki/Sulfenic_acid), although it will generally oxidise further to sulfonic acid (http://en.wikipedia.org/wiki/Sulfonic_acid). I've seen them before in structures of old (4-5 year old) crystals (see figure 2 o

Re: [ccp4bb] My cysteines

2009-04-21 Thread Dirk Kostrewa
Hello James, my first guess would be a second conformation. If the cysteine is part of a disulfide bridge, it could be a partially broken bridge due to radiation damage, and the "extra atom" would be the sulfhydryl group in VdW distance to the former partner cysteine. Best regards, Dirk.

[ccp4bb] My cysteines

2009-04-21 Thread James Stroud
Hello All, I have a couple of cysteines with some extra density about 1 covalent bond's length away from the sulfur center. It looks to be one atom's worth of extra density. Because I could fit it in an icon sized graphic and I anticipate that someone will suggest I post a picture, I'm at

Re: [ccp4bb] Low-level disable ccp4i database...?

2009-04-21 Thread Martyn Winn
Try $CCP4/ccp4i/etc/unix/configure.def Given your panic, am aiming for quick rather than complete answer ... (sorry, was too busy to answer at 3am). m On Tue, 2009-04-21 at 03:44 +0100, Frank Von Delft wrote: > Yes, I was framed. Thanks for the quick response. > > Okay, question 2: > There is

Re: [ccp4bb] open mask with coot

2009-04-21 Thread Kevin Cowtan
Coot will read CNS maps. Is the CNS mask format different to the CNS map format? If so, convert your CNS mask to a CNS map first. (I presume CNS can do this - I've not used it.) Xiaowei Pan wrote: > > hello Crystallographers > > I have generated a solvent mask by CNS ,how can I open the .mask f