[ccp4bb] Hel with library definition for Asn-NAG link

2008-10-23 Thread mark Mayer
We are refining a 2.7 A structure with multiple ASN-NAG links. The torsion angle between the Asn amide and the sugar is quite variable, while from the chemistry of this link we would expect a value close to 180°, as reported in the PDB survey by Imberty & Perez (Protein Engineering 8:669-709

Re: [ccp4bb] Calculating shape complementarity parameter using Sc

2008-10-23 Thread Robert Campbell
Dear Jae, On Thu, 23 Oct 2008 17:05:32 +0100, Jae Hyun <[EMAIL PROTECTED]> wrote: > I tried to calculate the shape complementarity parameter using Sc in CCP4. > But, this gave me error message as follows: > > > > $TEXT:Warning: $$ comment $$ > WARNING: No Space group given on PDB CRYST1

[ccp4bb] Calculating shape complementarity parameter using Sc

2008-10-23 Thread Jae Hyun
Dear All, I tried to calculate the shape complementarity parameter using Sc in CCP4. But, this gave me error message as follows: $TEXT:Warning: $$ comment $$ WARNING: No Space group given on PDB CRYST1 line $$ UNFORMATTEDSCRATCH file opened on unit 7 Logical name: SCTEMP, Filen

[ccp4bb] Postdoctoral Positions Available in Structural Biophysics in Maryland, USA

2008-10-23 Thread Scott Walsh
Postdoctoral Positions Available in Structural Biophysics in Maryland, USA  Several NIH funded postdoctoral positions are available at the Center for the Advanced Research in Biotechnology (CARB) at the University of Maryland Biotechnology Institute in Rockville, Maryland, USA.  Several research

Re: [ccp4bb] home-made-x-rays-and-other-fun-with-tape

2008-10-23 Thread William G. Scott
Even better, with 2 ns pulses, we should be able to do time-resolved crystallography after looting the office supply cabinet. Unfortunately, our division cut their scotch tape budget. On Oct 23, 2008, at 6:38 AM, R.M. Garavito wrote: To all, For those of us who are do-it-yourselfers and li

[ccp4bb] home-made-x-rays-and-other-fun-with-tape

2008-10-23 Thread R.M. Garavito
To all, For those of us who are do-it-yourselfers and like to work at home (and who may have tons of tape), here is something of interest: http://arstechnica.com/journals/science.ars/2008/10/22/home-made-x- rays-and-other-fun-with-tape I suppose we could dope the tape with different metals

[ccp4bb] Postdoctoral research position in Cryo-EM available at University of Leeds UK

2008-10-23 Thread Stan Burgess
Faculty of Biological Sciences Institute of Molecular & Cellular Biology Astbury Centre for Structural Molecular Biology University of Leeds UK Research Fellow (Fixed term for 3 years, available from 1 December 2008) Project Title: Structure and Mechanism of Cytoplasmic Dynein You will be

Re: [ccp4bb] twinning in monoclinic space group

2008-10-23 Thread Eleanor Dodson
Those plots dont look too bad to me - not ideal but acceptable.. There are not many centric reflections so any stats are a bit suspect.. So I would go on working assuming no twinning - and try for a solution from MR or exptl phasing.. That is not so easy I know, but IF you can get an MR solution

Re: [ccp4bb] twinning in monoclinic space group

2008-10-23 Thread Kevin Cowtan
Do you have a pseudotranslation in the lower spacegroup? (If I could do symmetry in my head, I could probably work it out). If so, then it might be worth looking at the following excellent paper... http://www.pubmedcentral.nih.gov/articlerender.fcgi?artid=2394827 Surprises and pitfalls arising