Re: [ccp4bb] non-symmetric tetramer ?

2010-07-29 Thread Vellieux Frederic
Non-symmetric tetramers: you can check out Tete-Favier et al (1993), Acta Cryst. D49, 246: the quaternary structure was assumed to have local 222 symmetry. It turned out this was not exactly the case: the actual symmetry of the object (the molecule) was pseudo 2t2t2t. So in addition to 2-fold

Re: [ccp4bb] non-symmetric tetramer ?

2010-07-29 Thread A Leslie
Hi Fred, If your tetramer show negative cooperativity between the 4 sites for ligand binding, then it is possible to get a tetramer with (say) only one subunit occupied by ligand, which can introduce considerable asymmetry if ligand binding gives rise to a hinge type closure of

Re: [ccp4bb] non-symmetric tetramer ?

2010-07-29 Thread Miri Hirshberg
Thurs., July 29th 2010 EBI Morning, I think Andrew meant PDB 2gd1 and 1gd1 (has 4 NAD) DOI10.1016/0022-2836(88)90130-1 Miri On Wed, 28 Jul 2010, A Leslie wrote: Hi Fred, If your tetramer show negative cooperativity between the 4 sites for ligand binding, then it is possible to

Re: [ccp4bb] non-symmetric tetramer ?

2010-07-29 Thread Fischmann, Thierry
@JISCMAIL.AC.UK Subject: Re: [ccp4bb] non-symmetric tetramer ? Non-symmetric tetramers: you can check out Tete-Favier et al (1993), Acta Cryst. D49, 246: the quaternary structure was assumed to have local 222 symmetry. It turned out this was not exactly the case: the actual symmetry of the object

Re: [ccp4bb] non-symmetric tetramer ? 2nd round

2010-07-29 Thread Fred
Thanks all of you who promptly replied my question. I should have been more precise. I was referring to the symmetry of the tetrameric particle (point symmetry) at the molecular level not at the atomic level. This question has arisen because I have collected some SAXS data of my protein in

Re: [ccp4bb] non-symmetric tetramer ? 2nd round

2010-07-29 Thread Vellieux Frederic
Hi, To quote you: even my P222 experimental envelop does have a 4-fold axis - this is not suprising, a particle with 222 symmetry does not have 4-fold symmetry. There are 3 mutually perpendicular 2-fold axes that intersect at the origin (of the particle, of the molecule) [and for the

Re: [ccp4bb] non-symmetric tetramer ? 2nd round

2010-07-29 Thread Fred
Of course, 222 has not a 4 axis, otherwise it would be a 4-fold axis. But that's the output of the program. P4 exp. model has a 4-fold axis along the longest axis, while the P222 MODEL has a 4-fold axis along the smallest, which doesn't make any sense. Can you imagine something build up with 4

Re: [ccp4bb] non-symmetric tetramer ? 2nd round

2010-07-29 Thread Kushol Gupta
Fred, Two cents - I think the P1 SAXS solution should strongly guide your choice of symmetry constraint above all else in this case: do any of the symmetry-restrained shape reconstructions *improve* the statistics (chi) and stability of the shape (NSD) when compared to the P1 result? Also, it

Re: [ccp4bb] non-symmetric tetramer ? 2nd round

2010-07-29 Thread Fred
: Re: [ccp4bb] non-symmetric tetramer ? 2nd round To: CCP4BB@JISCMAIL.AC.UK Of course, 222 has not a 4 axis, otherwise it would be a 4- fold axis. But that's the output of the program. P4 exp. model has a 4- fold axis along the longest axis, while the P222 MODEL has a 4-fold

Re: [ccp4bb] non-symmetric tetramer ? 2nd round

2010-07-29 Thread Fred
So, that was my previous question. Em 29-07-2010 14:14, Phoebe Rice escreveu: You don't have to keep the same number of symmetrical contacts. Original message Date: Thu, 29 Jul 2010 14:13:56 -0300 From: Fredccp4bb.l...@gmail.com Subject: Re: [ccp4bb] non-symmetric tetramer ? 2nd

Re: [ccp4bb] non-symmetric tetramer ? 2nd round

2010-07-29 Thread Fred
No, constraints do not improved the Chis, but also don't harm them much. Which NSDs, from selection or superposition (damsel or damsup)? The superposition ones: P1 egp1p_04-1.pdb !! Reference file egp1p_12-1r.pdb !! NSD = 0.912 egp1p_05-1r.pdb

[ccp4bb] non-symmetric tetramer ?

2010-07-28 Thread Fred
Dear CCP4bb, Could someone please, point me to some references about non-symmetric tetramers? If I have a tetramer composed by 4 identical subunits, it'll always have a P4 point group symmetry? Thank in advance, Tomb

Re: [ccp4bb] non-symmetric tetramer ?

2010-07-28 Thread Jacob Keller
I had a tetramer with 222 symmetry--1f38 and related entries. Is that what you mean? Jacob - Original Message - From: Fred ccp4bb.l...@gmail.com To: CCP4BB@JISCMAIL.AC.UK Sent: Wednesday, July 28, 2010 1:31 PM Subject: [ccp4bb] non-symmetric tetramer ? Dear CCP4bb, Could someone

Re: [ccp4bb] non-symmetric tetramer ?

2010-07-28 Thread Roger Rowlett
The symmetry of a homotetramer will depend (in part) on how many types of interfaces it has. Some sort of 2-fold symmetry is probably more likely. Crystallization unit cell is another matter, and depends on contact interfaces. We study a protein that is a homotetramer that has two different

Re: [ccp4bb] non-symmetric tetramer ?

2010-07-28 Thread Tim Gruene
Dear Tomb, if your tetramer (oligomer in general) is part of the asymmetric unit the crystal's space group can be independent from the tetramer. Tim On Wed, Jul 28, 2010 at 03:31:45PM -0300, Fred wrote: Dear CCP4bb, Could someone please, point me to some references about non-symmetric