Re: [ccp4bb] sharp beam focus and radiation damage?

2009-06-19 Thread Nave, C (Colin)
Richard A paper from some time back which describes this is Increased resolution data from a large unit cell crystal collected at a third-generation synchrotron X-ray source Authors: W R Wikoff, W Schildkamp, J E Johnson Acta crystallographica. Section D, 56(Pt 7):890-3. By focusing the bending

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

Re: [ccp4bb] X-ray photon correlation length

2009-01-31 Thread Nave, C (Colin)
I'm not sure where this rumor got started that the intensity reflected from a mosaic block or otherwise perfect lattice is proportional to the square of the number of unit cells Of course it is proportional to the square of the number of unit cells. With more cells, more photons are scattered.

Re: [ccp4bb] X-ray photon correlation length

2009-01-30 Thread Nave, C (Colin)
and undulator parameters to confirm this impression. Perhaps James Holton will chime in again? Ethan From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of Nave, C (Colin) Sent: Thursday, January 29, 2009 10:14 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb

Re: [ccp4bb] small lines in diffraction pattern

2009-01-29 Thread Nave, C (Colin)
Hi Nice of Jacob to mention the paper below but I don't think it is relevant to these patterns (well it might not be relevant to anything!). I think James has given the most likely explanation. The AB type stacking disorder he mentioned is similar to the type in the paper I referenced. I think

Re: [ccp4bb] X-ray photon correlation length

2009-01-29 Thread Nave, C (Colin)
Bernard I guess this came from Aren't detwinning methods appropriate only in the case of true twin domains which are larger than the X-ray photon correlation length in order for the assumption to be valid that |F|^2 from each domain can be summed? This wouldn't give rise to the apparent 'diffuse

Re: [ccp4bb] small lines in diffraction pattern

2009-01-28 Thread Nave, C (Colin)
Margriet This looks like stacking or shift disorder which can occur when perfect 3 dimensional order breaks down. For example one can have a situation where the lattice is preserved in 2 dimensions but the planes can slide with respect to one another destroying the order in the 3rd dimension,

Re: [ccp4bb] small lines in diffraction pattern

2009-01-28 Thread Nave, C (Colin)
Jacob Traditional mosaic spread (ordered mosaic blocks imperfectly aligned with respect to one another) gives spherical caps in reciprocal space. These would appear as arcs on a single crystal rotation photograph. If anisotropic, the arcs would be more extensive in some directions. The

Re: [ccp4bb] Crystallogrphy today

2008-09-22 Thread Nave, C (Colin)
Yes - reading early articles is always illuminating. Over the past few years I have looked at Charles Galton Darwin's (yes a relation) 1914 paper and Arthur Compton's in order to understand what is really happens to these x-rays. However, as Bayes work is being highlighted, I can't resist giving

Re: [ccp4bb] is it Ok to freeze

2008-06-19 Thread Nave, C (Colin)
Harry Can you clarify why you get a substantially better structure at cryo temperatures e.g higher intensity at high resolution due to reduction in B factors, reduction in radiation damage, anything else? Colin -Original Message- From: CCP4 bulletin board

Re: [ccp4bb] Structural importance of ordered water?

2008-06-17 Thread Nave, C (Colin)
Richard Not sure about chains but mutual hydrogen bonded networks (you mention networks) between protein, water (and ligand) surely occur. I think most self respecting waters would try and form more then two hydrogen bonds (rather then just be part of a chain) though one might not see all the

Re: [ccp4bb] Primary literature for cyrocooling to mitigate radiation damage

2008-05-21 Thread Nave, C (Colin)
Andy I guess it all depends on what temperature you mean by cryocooling. I was not aware at the Low et. al. paper - interesting early work. Low et. al. did not study reduction in radiation damage below -130C as they noticed a large increase in mosaicity occurring so abandoned this method. They

Re: [ccp4bb] Negative density around C of COO-

2008-05-06 Thread Nave, C (Colin)
Hi Just for completeness (seeing as we are discussing scattering factors and radiation damage) there is an increased susceptibility to primary damage for sulphur due to the increased absorption which follows f'', tabulated for example in http://henke.lbl.gov/optical_constants/asf.html. The x-ray

Re: [ccp4bb] anomalous signal of Mn and Ca ions

2008-03-01 Thread Nave, C (Colin)
Dear all If you simply want to see if Ca and Mn are in your sample, you could also use x-ray fluorescence excited by the x-rays on the beamline used to collect the diffraction data. It doesn't need the energy set to be at each absorption edge, it just has to be above the edges. One then sets the

Re: [ccp4bb] bond lengths, angles, ideality and refinements

2008-01-09 Thread Nave, C (Colin)
The latest Acta D shows the social consensus is sometimes lacking even (or especially) among very experienced and able crystallographers. Experimental determination of optimal root-mean-square deviations of macromolecular bond lengths and angles from their restrained ideal values Ian J.

[ccp4bb] Registration and Abstract submission for Fifth International Workshop on X-ray Radiation Damage to Biological Crystalline Samples

2007-12-02 Thread Nave, C (Colin)
Fifth International Workshop on X-ray Radiation Damage to Biological Crystalline Samples : Registration and Abstract submission is now open at: http://user.web.psi.ch/rd5/ for the Fifth International Workshop on X-ray Radiation Damage to Biological Crystalline Samples which will be held at

Re: [ccp4bb] To bathe or not to bathe.

2007-11-27 Thread Nave, C (Colin)
Richard I think the sharp spot is just small angle scattering (e.g. from domain boundaries) resulting from the beam hitting one of the defining apertures in your collimation system. If you ray trace the beam from the last defining aperture, through the guard aperture then to the detector you

Re: [ccp4bb] To bathe or not to bathe.

2007-11-26 Thread Nave, C (Colin)
To bathers and non bathers This is an interesting discussion with several relevant points. I agree that, if small beams can pick up the best bits of the crystal that is a very good reason for using them. The background arguments can be relevant and having the beam size at the detector matched

Re: [ccp4bb] To bathe or not to bathe.

2007-11-26 Thread Nave, C (Colin)
Note the density of air is approximately 1000 times less than a protein crystal. The total scatter for a beam going through a 50 micron thick crystal will be similar to that from 50mm air. Most beamlines will have a path length less than this but nevertheless the air scatter will be significant

[ccp4bb] Workshop Announcement - X-ray Radiation Damage to Biological Crystalline Samples

2007-10-29 Thread Nave, C (Colin)
The Fifth International Workshop on X-ray Radiation Damage to Biological Crystalline Samples will be held at the Swiss Light Source from 13:00 March 3rd to 13:00 March 5th 2008. This series of workshops was originally concerned with the effects of radiation damage during investigation of protein

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

Re: [ccp4bb] Conservation of momentum - was Is anomalous signal a different wavelength?

2007-06-04 Thread Nave, C (Colin)
Apologies for the late posting (been away). Interesting question from James and an interesting answer from Ian! There should be a radiation pressure effect here resulting in a transfer of energy and momentum to the sample. The effect is very small (the term includes flux density divided by

Re: [ccp4bb] CCP4 GUI (was:RE: [ccp4bb] Refmac and B factors)

2007-05-10 Thread Nave, C (Colin)
Seems to be a general issue. Read the editorial in Nature 10 May 2007 Volume 447 Number 7141, pp116. Under the microscope - The use of 'black box' techniques carries risks. Colin -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] Behalf Of Flip Hoedemaeker Sent: 10 May

[ccp4bb] FW: [ccp4bb] image plate shadow

2007-05-04 Thread Nave, C (Colin)
Alejandro, As others have said, the most likely explanation is the attenuation of the air scatter by the sample holder. There is no sharp edge to the shadow which indicates the source of scatter is along an extended path. Ed Berry pointed out that he didn't see spots in the shadow. This might