Re: [ccp4bb] Help with MR in P21

2010-01-29 Thread Eleanor Dodson
There are a good many coiled coil models available. I suggest you search the pdb for more models yourself, or let a program like BALBES do it for you and do the MR searches as well. IF you get a faint hit (usually marked by both R and rfree dropping a few % on refinement) then Arp-warp or

Re: [ccp4bb] Help with MR in P21

2010-01-27 Thread wu donghui
Two cents are added here. First, try P2 as somethimes systematic absence along b axis is misleading due to weak diffraction or pseduo translation. Second, try P1. Good luck, Donghui On Tue, Jan 26, 2010 at 1:50 AM, Michele Lunelli efu...@yahoo.it wrote: Dear all, I am trying to solve a

Re: [ccp4bb] Help with MR in P21

2010-01-26 Thread Phil Evans
I would guess that coiled-coil structures might be difficult to solve by MR because of multiple false solutions in a repetitive structure. There's a lot to be said for experimental phases Phil On 25 Jan 2010, at 17:50, Michele Lunelli wrote: Dear all, I am trying to solve a structure at

Re: [ccp4bb] Help with MR in P21

2010-01-26 Thread Enrico Stura
It may be a good exercise to look at the possibility of weak reflections in the original images. Such reflections are not picked up by the automatic methods and could be a possible source for your problems. Use manual spots picking in mosflm or an equivalent program. This will ensure that

Re: [ccp4bb] Help with MR in P21

2010-01-26 Thread Dirk Kostrewa
Yes, that's true: coiled-coils are a nightmare, especially for molecular replacement! Apart from potential twinning problems, the internal symmetry and often very tight packing makes it extremely awful for MR replacement trials. I would recommend to create at least seven models for molecular

[ccp4bb] Help with MR in P21

2010-01-25 Thread Michele Lunelli
Dear all, I am trying to solve a structure at 2.05 A resolution by molecular replacement. The space group seems to be P21, with unit cell dimension 52.63, 29.43, 104.970 and beta = 95.60. Only one copy of the protein should be present in the asymmetric unit, with 58% of solvent content. The