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] 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

Re: [ccp4bb] the worst molecular replacment probes

2007-09-21 Thread Andreas Forster
To avoid excessive excitement potentially caused by such a list, people should also indicate the time spent with a model just good enough to initially justify the eventually futile effort. Andreas On 9/21/07, Bryan W. Lepore <[EMAIL PROTECTED]> wrote: > > would anyone be willing to share storie

[ccp4bb] the worst molecular replacment probes

2007-09-21 Thread Bryan W. Lepore
would anyone be willing to share stories of the worst molecular replacement search probes they used to get the correct solution purely with MR? perhaps in terms of %-scattering, RMSD, Z-score, LLG, or other possibly specific scoring values. -bryan