[ccp4bb] Free R with doubled cell edge

2010-11-09 Thread Thomas Edwards
Dear BB, Thanks for all of your helpful and useful comments Whilst there was some agreement that simulated annealing should be enough to solve any problems, we have taken perhaps the cautious approach. We have produced a freeR set in the bigger unit cell using reindex as suggested by Eleanor:

Re: [ccp4bb] Free R with doubled cell edge

2010-11-01 Thread Eleanor Dodson
m referees (...)? Good luck, Boaz - Original Message - From: Kay Diederichs Date: Saturday, October 30, 2010 14:23 Subject: Re: [ccp4bb] Free R with doubled cell edge To: CCP4BB@JISCMAIL.AC.UK Hi Ed, in the new cell (long a axis), the reflections H K L are related by H=2*h

Re: [ccp4bb] Free R with doubled cell edge

2010-10-30 Thread Ethan Merritt
n > Would there be any objection from referees (...)? > > Good luck, > >Boaz > - Original Message - > From: Kay Diederichs > Date: Saturday, October 30, 2010 14:23 > Subject: Re: [ccp4bb] Free R with doubled cell edge > To: CCP4BB@JISCMAIL.AC.UK

Re: [ccp4bb] Free R with doubled cell edge

2010-10-30 Thread Boaz Shaanan
corner by suggesting this route? Would there be any objection from referees (...)?   Good luck,                Boaz - Original Message - From: Kay Diederichs Date: Saturday, October 30, 2010 14:23 Subject: Re: [ccp4bb] Free R with doubled cell edge To: CCP4BB@JISCMAIL.AC.UK > Hi Ed, &g

Re: [ccp4bb] Free R with doubled cell edge

2010-10-30 Thread Kay Diederichs
Hi Ed, in the new cell (long a axis), the reflections H K L are related by H=2*h K=k L=l to those of the old (short a) cell. I would expect that the R-factor of those H K L reflections with even H from the new crystal form is low (at least at low resolution) against the h k l reflections of t

[ccp4bb] Free R with doubled cell edge

2010-10-28 Thread Thomas Edwards
Dear BB Sages, I have a problem where I think I could very easily do the wrong thing. And I don't really want to do that... We have solved a new structure using zinc SAD phases (1 zinc in 27kD, 2 Zn/AU - Shelx, RESOLVE, ARPwARP. Cool.). In p21 30 109 65 90 105 90 at 2.5A However, we have now co