Re: [ccp4bb] The importance of USING our validation tools

2007-08-28 Thread Kevin Cowtan
Wow! Those are two pretty amazing structures. For those of you who haven't had a look, the ordered molecules are in layers with *huge* gaps in between, much greater than in 2hr0. And yet both of these structures were solved with experimental phasing (SIRAS) unlike 2hr0, and the data is to

Re: [ccp4bb] Strange diffraction images

2007-08-28 Thread Boaz Shaanan
There is also one case of a protein structure that I am aware of, where a similar problem has been tackled (the phenomenon is also known as one-dimensional disorder, according to A.J.C. Wilson - yes, the one how invented the plot). Check: Trame, CB mcKay, DB (2001). Acta Cryst. D57,

[ccp4bb] AW: [ccp4bb] Strange diffraction images

2007-08-28 Thread Herman . Schreuder
Dear Todd, Your diffraction pattern very much looks like suffering from a so-called lattice-translocation defect (see e.g. acta cryst D57, 1079; D61, 67 and D61, 932). In this case, the diffuse spots are caused by stochastic discrete shifts between successive layers. Since you do not seem to

[ccp4bb] Practical Course in Macromolecular Crystallography M2M-7

2007-08-28 Thread Victor Lamzin
This is just a gentle reminder - the deadline for the applications to the M2M course is in 1 month. = We would like to announce the Practical Course on Training in methods for Macromolecular Crystallography M2M-7: From Measurement to

[ccp4bb] PDRA position

2007-08-28 Thread Dr John Rafferty
A position is available immediately to work in the group of Dr John Rafferty at the University of Sheffield for structural studies of proteins involved in DNA recombination in Gram-positive organisms. The group focuses particularly on those proteins that bind Holliday junctions and has

[ccp4bb] PDRA post in Sheffield further details

2007-08-28 Thread Dr John Rafferty
Further to the previous posting about a PDRA position in Sheffield, additional details and the application procedure are available at http://www.sheffield.ac.uk/jobs/research.html (post reference R05486). With apologies for the omission. Thanks John Dr J.B.Rafferty Dept Molecular Biology

Re: [ccp4bb] Applying NCS Edits in Coot

2007-08-28 Thread Paul Emsley
On Mon, 2007-08-27 at 19:34 +0200, [EMAIL PROTECTED] wrote: I am trying to use the NCS Edits in Coot to be able to move a range of residues from a molecule to the NCS related ones and the command (copy-residue-range-from-ncs-master-to others ) is not working. The fragment that I want to

[ccp4bb] Job offer: Postdoctoral Scientist in X-ray structural analysis of plant proteins

2007-08-28 Thread Prof. Dr. Arne Skerra
Postdoctoral Scientist in X-ray structural analysis of plant proteins A postdoctoral staff position is available at the Institute of Biological Chemistry of the Technical University Munich starting from November 2007 for initially three years. Projects are focused at the structural study of

[ccp4bb] Mean phase difference calculation

2007-08-28 Thread Winter, G (Graeme)
Hi CCP4BB, Is there a straightforward way to compute the mean phase difference between two phase columns in an MTZ file, allowing for the difference in the origin? I am thinking something like: Cad together two reflection files - renaming the PHIB column, most likely Compute phi offset - apply

Re: [ccp4bb] Questions about diffraction

2007-08-28 Thread James Holton
For a full answer to all your questions, I refer you to the classic textbook of M. M. Woolfson an introduction to x-ray crystallography by Cambridge University Press. This book has been quite helpful to me of late. Unlike some similar texts I find it easy to read. There are even examples!

Re: [ccp4bb] Mean phase difference calculation

2007-08-28 Thread Kevin Cowtan
Yup. cphasematch It gives unweighted and weighted mean phase errors and F and E correlations. It'll also try the opposite hand if appropriate. It's in the GUI under Clipper utilities. For an example script, run it in the GUI and then view the command file. Kevin Winter, G (Graeme) wrote:

[ccp4bb] water soluble protein that needs detergent to be stable

2007-08-28 Thread Daniel Jin
Hi, I am working on a 60 kDa C. elegans protein that is predicted to be mostly alpha-helix. It is over-expressed in E.coli and the yield is about 1 mg/L of cell culture. The CD spec at 4 degree showed the presence of dominant alpha-helix. However, we don’t have any functional assay to

[ccp4bb] alternating strong/weak intensities in reciprocal planes - P622 - feedback / quasi SUMMARY

2007-08-28 Thread iulek
I got several suggestions. I thought it is time to answer some questions, prepare a partial quasi- summary and give some more feedback. Please, keep sending me any more insights and suggestions you might have. Briefly, the problem is: P622 (no systematic abscences), strong spots at

Re: [ccp4bb] Questions about diffraction

2007-08-28 Thread Nave, C (Colin)
Good summary as expected from James. Have you ever heard of photon-photon scattering? Well yes! See for example http://2physics.blogspot.com/2006/03/photon-photon-scattering.html which says according to Quantum Electrodynamics (QED), particles can still be created in this emptiness of vacuum

[ccp4bb] Resid for occupancy

2007-08-28 Thread Vu Thai
Hi, I have a protein that binds nucleotides, and in my structure, it appears that the binding pocket is partial occupied by ADP and AMP; the beta phosphate of ADP is transfered to another molecule. I want to refine the structure with both ADP and AMP modeled in the sight and manually vary their