Re: [ccp4bb] Se oxidation

2009-02-10 Thread Gerard Bricogne
Dear Savvas, Since you mention the case of TolC explicitly, I should add to what Pietro Roversi has already written in his message in relation to anisotropy effects. Ben Luisi's group kindly let us have their data in the late 20th century, so that we could use the then new and exciting log-li

Re: [ccp4bb] Se oxidation

2009-02-10 Thread Pietro Roversi
Dear all, one comment on the subject of white lines and anomalous phasing power - one has to be extremely careful to jump to conclusions about the effect that a chemical treatment of the heavy atom (say oxydation/reduction of Se) has on the shape of the edge and the associated anomalous signa

Re: [ccp4bb] Se oxidation

2009-02-09 Thread Savvas Savvides
I think that SeMet oxidation has been a problem in the past in at least one case that I know, that of TolC by Koronakis et al. The same group addressed these problems in more detail in a second paper (see below): Crystal structure of the bacterial membrane protein TolC central to multidrug eff

Re: [ccp4bb] Se oxidation

2009-02-09 Thread Pascal Egea
Hi,I believe it is not important as long as you run a proper scan of the crystal. Both forms will allow proper phasing. This is very well described in a paper from Thomazeau et al. here is the reference MAD on threonine synthase: the phasing power of oxidized selenomethionine. Acta Crystallogr D B

Re: [ccp4bb] Se oxidation

2009-02-09 Thread Michael Hothorn
Hi, I wouldn't bother either. I once phased a structure based on about 160 oxidized Se in the AU (Hothorn et al., JBC, 2006). Just make sure that most of them are oxidized and do a proper absorption scan. best Michael aka akaka wrote: Dear All I would like to know whether oxidation of Se

Re: [ccp4bb] Se oxidation

2009-02-09 Thread Van Den Berg, Bert
Hi, I wouldn't worry about Se oxidation. In principle having a mix of oxidized/reduced seleniums is unfavorable, as you'll have less signal at the edge (broadening). However, all-oxidized Se apparently makes things better (sharper and more intense peak; I forgot the reference, i think it may