Re: [ccp4bb] MR with DNA

2008-12-06 Thread Pete Meyer
In addition to the possible problem Ho mentioned (DNA conformational changes), a few other things could effect how doable it is: percentage of DNA vs protein in the complex and the resolution of the data. Too little DNA mass wouldn't help phase the remainder of the complex, if it could be located.

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Gerard DVD Kleywegt
I suspect everyone is refering to Rost's twilight zone in sequence similarity where homology modeling trials had better be avoided. If so, the twilight zone would rather correspond to any indefinite or transitional condition(s) with no applicable or ever relevant binary constraint(s). actually,

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Dima Klenchin
Having a generic dictionary definition is nice and dandy. However, in the present context, the term 'homology' has a much more specific meaning: it pertains to the having (or not) of a common ancestor. Thus, it is a binary concept. (*) But how do we establish phylogeny? - Based on simple

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Anastassis Perrakis
I think we are getting a bit too philosophical on a matter which is mainly terminology . 1. To quantify how similar two proteins are, one should best refer to 'percent identity'. Thats clear, correct and unambiguous. 2. One can also refer to similarity. In that case it should be

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Daniel Rigden
I agree with previous posts that the reality of inferring evolutionary relationships is often messy, but there is no excuse for being unclear on the concepts and, in particular, for use of the % homology construct, still far too common in supposedly good journals. BTW, %identity is clear but not

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Gerard DVD Kleywegt
But how do we establish phylogeny? - Based on simple similarity! ah! the old rhetorical trick of changing the problem or question a posteriori! all i pointed out was that things can't be 25% homologous (well, i can think of a contrived example in which two four-domain proteins have one

Re: [ccp4bb] AW: [ccp4bb] suggestions for UV spectrometer

2008-12-06 Thread Chun Luo
We have used Nanodrop for several years and found the readings are always accurate. The highest concentration we have measured is around 30 mg/ml. The differences between diluted and concentrated samples are within dilution error. Nanodrop spectra at low concentration are noisier. We actually

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Dima Klenchin
But how do we establish phylogeny? - Based on simple similarity! ah! the old rhetorical trick of changing the problem or question a posteriori! all i pointed out was that things can't be 25% homologous Well, you were right that in today's definition things can't be. But you seem to be

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Douglas Theobald
- Dima Klenchin [EMAIL PROTECTED] wrote: But how do we establish phylogeny? - Based on simple similarity! This is a common, but erroneous, misconception. Modern phylogenetic methods (Bayesian, maximum likelihood, and some distance-based) rely on explicit models of molecular evolution, and

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Douglas Theobald
- Anastassis Perrakis [EMAIL PROTECTED] wrote: I think we are getting a bit too philosophical on a matter which is mainly terminology . 1. To quantify how similar two proteins are, one should best refer to 'percent identity'. Thats clear, correct and unambiguous. 2. One can also

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Douglas Theobald
- Dima Klenchin [EMAIL PROTECTED] wrote: Having a generic dictionary definition is nice and dandy. However, in the present context, the term 'homology' has a much more specific meaning: it pertains to the having (or not) of a common ancestor. Thus, it is a binary concept. (*) But how

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Dima Klenchin
But how do we establish phylogeny? - Based on simple similarity! (Structural/morphological in early days and largely on sequence identity today). It's clearly a circular logic: Hardly. Two sequences can be similar and non-homologous at all levels. Also, two similar proteins can be homologous

Re: [ccp4bb] 3D modeling program

2008-12-06 Thread Artem Evdokimov
Folks, This discussion is now dangerously close to a philosophical discourse regarding the differences between homoplasy, homology, and analogy. Throw into the mix synapomorphy and symplesiomorphy - and we've got ourselves a cladistic analysis soup sprinkled with the croutons of phylogeny. I do