Re: [ccp4bb] Help! weird thing

2012-03-17 Thread Ed Pozharski
u have a solution which refines (Free > >> Rfactor drops below say 40% in P1) you can try to figure out what the > >> true, higher symmetry space group may be. Your true space group may even > >> be P1, with pseudo P21 symmetry! > >> > >> Good lu

Re: [ccp4bb] Help! weird thing

2012-03-16 Thread Eleanor Dodson
AC.UK Subject: Re: [ccp4bb] Help! weird thing Dear all, Thank you very much for all the great suggestions on my case. Yes, I run the latest version of Phaser in Phenix. The analysis showed that there is one non-origin distinct peak more than 15 angstroms from the origin. 44.1% origin: FRAC 0.000

Re: [ccp4bb] Help! weird thing

2012-03-16 Thread Randy J. Read
or drops >> below say 40% in P1) you can try to figure out what the true, higher >> symmetry space group may be. Your true space group may even be P1, with >> pseudo P21 symmetry! >> >> Good luck! >> Herman >> >> From: CCP4 bulletin board [mail

Re: [ccp4bb] Help! weird thing

2012-03-16 Thread xiaoyazi2008
space group may > be. Your true space group may even be P1, with pseudo P21 symmetry! > > Good luck! > Herman > > From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of > xiaoyazi2008 > Sent: Thursday, March 15, 2012 6:12 AM > To: CCP4BB@JISCMAIL.AC.UK &

Re: [ccp4bb] Help! weird thing

2012-03-15 Thread Herman . Schreuder
Subject: Re: [ccp4bb] Help! weird thing Dear all, Thank you very much for all the great suggestions on my case. Yes, I run the latest version of Phaser in Phenix. The analysis showed that there is one non-origin distinct peak more than 15 angstroms

Re: [ccp4bb] Help! weird thing

2012-03-14 Thread xiaoyazi2008
Dear all, Thank you very much for all the great suggestions on my case. Yes, I run the latest version of Phaser in Phenix. The analysis showed that there is one non-origin distinct peak more than 15 angstroms from the origin. 44.1% origin:FRAC 0.000 0.042 0.500 (ORTH -15.72.8 103.5)

Re: [ccp4bb] Help! weird thing

2012-03-13 Thread Eleanor Dodson
That difference density looks too good to be true.. There is obviously a very strong non-crystallographic translation. Is the spacegroup and/or cell correct? Eleanor On Mar 11 2012, xiaoyazi2008 wrote: Hi All, I have an interesting thing to share. 2.3A dataset with good quality, P21 Par

Re: [ccp4bb] Help! weird thing

2012-03-12 Thread Randy Read
Airlie points out that what I said about the ccp4i interface wasn't correct! In order to keep the ccp4i interface in synch with the version of Phaser, we've started distributing the ccp4i files with the source code. The ones on our website are for an older version of Phaser, but the latest one

Re: [ccp4bb] Help! weird thing

2012-03-12 Thread Randy Read
Yes, the current version of Phaser will do the same test that xtriage carries out, and if it finds a sufficiently high non-origin Patterson peak, it will automatically characterise the translational NCS and use this for molecular replacement. This is working pretty well in our tests. In the ne

Re: [ccp4bb] Help! weird thing

2012-03-12 Thread Anastassis Perrakis
Hi - I agree with Garib that its likely a pseudo-translation issue. I also agree with that the advice he gives is correct, but ... ... since I am evidently less smart to follow all these steps, I like to use phenix.xtriage that will tell me if there is pseudo- translation or not, and will give

Re: [ccp4bb] Help! weird thing

2012-03-11 Thread Garib N Murshudov
Hi Could you please check: 1) If there is psedotranslation. It could be done by using sfcheck, molrep, ctruncate or calculating patterson map and displaying using coot at 8-10 sigma level (it is my favourite method for analysis of pseudo translations), whole unit cell ( a bit bigger than whole

Re: [ccp4bb] Help! weird thing

2012-03-10 Thread Dale Tronrud
It could be that your partial model has a loop, not present in the true solution, that is causing a clash. You could run Phaser again with the anti-bumping restraint weakened or disabled, or more carefully edit your partial model. Dale Tronrud On 3/10/2012 11:33 PM, xiaoyazi2008 wrote: Hi A