Re: [ccp4bb] worst mr probes

2007-09-22 Thread James Whisstock
Hi Bill Scott used a RNA fragment based MR approach in his paper on Ribozyme structure. The Structural Basis of Ribozyme-Catalyzed RNA Assembly Michael P. Robertson and William G. Scott Science 16 March 2007: Vol. 315. no. 5818, pp. 1549 - 1553 In our lab we had an interesting time with the tw

Re: [ccp4bb] Solvent content of membrane protein crystals

2007-09-22 Thread Edward Berry
I would use a very general definition for "solvent", including disordered detergent and lipids. As you know in many cases ordered detergents and lipids have been modeled in the coordinates, so they are part of the model not the solvent. In some cases I think waters should be included in the model

[ccp4bb] Solvent content of membrane protein crystals

2007-09-22 Thread Savvas Savvides
Dear colleagues, in estimating the solvent content of membrane protein crystals it would only seem reasonable that micelle size should also be taken into account. Depending on the aggregation number and MW of a given detergent, the concentation of detergent used, and the buffer conditions

Re: [ccp4bb] the worst molecular replacment probes

2007-09-22 Thread Savvas Savvides
The paper below can put things in perspective a little bit. Bernstein and Hol (1997) Acta Crystallogr D Biol Crystallogr. 53(Pt 6):756-64. Probing the limits of the molecular replacement method: the case of Trypanosoma brucei phosphoglycerate kinase. best wishes Savvas

Re: [ccp4bb] Crystals to go

2007-09-22 Thread James Holton
I am pretty sure the work you are referring to is R. B. G. Ravelli et. al. JSR 2007 http://dx.doi.org/10.1107/S0909049506043111 the article is open access, so anyone anywhere can click on the above link and read it. Basically, they used EM specimen preparation methodologies to embed a lysozym

[ccp4bb] worst mr probes summary

2007-09-22 Thread Bryan W. Lepore
a quick summary on 'the worst MR probes' Pierre Rizkallah: X-ray Structure Solution of Amaryllis Lectin by Molecular Replacement with Only 4% of the Total Diffracting Matter. L. Chantalat, S.D. Wood, P.J. Rizkallah, C.D. Reynolds (1996). Acta Crystallographica, D52, pp. 1146-1152 Poul Nissen: Ni

[ccp4bb] refmac and ramachandran troubles

2007-09-22 Thread Jan Abendroth
Hi all, along the lines of a recent discussion: At the final stages of the refinement of a structure which a whole bunch of ncs (2x4chains) at 2.2A resolution in P1, I run into the following very annoying and persistent problem. The Ramachandran plot shows a whole bunch of ugly outliers. While some

Re: [ccp4bb] the worst molecular replacment probes - three months

2007-09-22 Thread Poul Nissen
Sorry - didn't see this - time spent on MR solution of the Phe-tRNA:EF-Tu:GDPNP structure was about three months (but this was 1994 with slow computers, two trips per year to the synchrotron etc.) Poul > To avoid excessive excitement potentially caused by such a list, people > should also indica

Re: [ccp4bb] the worst molecular replacment probes

2007-09-22 Thread Poul Nissen
An old example: The Phe-tRNA:EF-Tu:GDPNP ternary complex - three complexes per asymmetric unit, C2 space group, degenerate three-fold NCS (three different tRNA conformations in the trimer). 40 - 2.8 Å resolution native data (about 78% complete...) used for MR. Straight-forward placement of three EF