*** For details on how to be removed from this list visit the *** *** CCP4 home page http://www.ccp4.ac.uk ***
Peak #2 doesn't look like a crystallographic 2-fold: that should be along b, i.e. polar angles 90,90,180 assuming orth code 1. But in that case why isn't the cryst 2-fold in the peak list? I find it much easier to look at the stereographic plots; also you will find it much easier to interpret if you use the orth code appropriate to the crystal system (3 for monoclinic unique b I think). -- Ian > -----Original Message----- > From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On > Behalf Of A Hibbert > Sent: 18 November 2005 15:31 > To: [EMAIL PROTECTED] > Cc: [email protected] > Subject: Re: [ccp4bb]: Whoops...More RFCORR/PHASER Questions > > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > > Now I'm not sure whether I'm interpreting everything > correctly. From what I read in the following link, solution 2 > is represents the crystallographic 2-fold (not NCS), since > theta of the SRF = gamma of the until cell: > > http://www.ysbl.york.ac.uk/~mgwt/thesis-tth/chapter3.html > > However, after coming across a comment Eleanor posted a few > years back, solution 2 must represent the NCS 2-fold, since > the orthogonalization code (it's the default, which I guess > in MolRep is 1) puts the Z-axis along c* and the peak hight > of solution 2 is far less than the origin: > > http://www.ysbl.york.ac.uk/ccp4bb/2002/msg00022.html > > Any edification would be greatly appreciated! > > > >From: Eleanor Dodson <[EMAIL PROTECTED]> > >Reply-To: [EMAIL PROTECTED] > >To: A Hibbert <[EMAIL PROTECTED]> > >CC: [email protected] > >Subject: Re: [ccp4bb]: Whoops...More RFCORR/PHASER Questions > >Date: Fri, 18 Nov 2005 10:07:48 +0000 > > > >In a case like this where you obv. have a strong NCS 2 fold, > have you > >considered searching with a dimer as the model - if there is > a likely > >model candidate.. Can save a lot of trouble.. > >Eleanor > > > >A Hibbert wrote: > > > >>*** For details on how to be removed from this list visit the *** > >>*** CCP4 home page http://www.ccp4.ac.uk *** > >> > >> > >>Just figured out solution 2 is the crystallographic 2-fold > (110 + 70 = > >>180). Solution 3 looks too weak to be significant. I think I'm > >>clutching at straws. > >> > >>Sorry about my previous e-mail. > >> > >> > >>>From: "A Hibbert" <[EMAIL PROTECTED]> > >> > >>Just figured out solution 2 is the crystallographic 2-fold. > >> > >>>To: [email protected] > >>>Subject: [ccp4bb]: More RFCORR/PHASER Questions > >>>Date: Thu, 17 Nov 2005 20:47:58 +0000 > >>> > >>>*** For details on how to be removed from this list visit the *** > >>>*** CCP4 home page http://www.ccp4.ac.uk *** > >>> > >>> > >>>Sorry about all these questions, but I have a few more: > >>> > >>>1) For general self-education, I tried out the > RFCORR/AMORE script in > >>>the RFCORR documentation. From what I understand, the X-rotation > >>>function shouldn't need a .tab file (from TABLING) as > normalized SFs > >>>from the model are already calculated (and a TABLING run isn't > >>>included in the example). Furthermore, the GENERATE command isn't > >>>executed. However, AMORE complains that I haven't included a .tab > >>>file. Does anyone know why? > >>> > >>>2) Do you think it's more sensitive doing a LOCKED > ROTATION in AMORE, > >>>then doing a translational search in PHASER, or doing > everything in > >>>PHASER and then running RFCORR? > >>> > >>>P.S: The crystal is P2(1) [64.0600 79.1400 71.0660 90.0000 > 110.9270 > >>>90.0000], with 2 molecules per ASU, and the following > self-Patterson > >>>solution(s) (quickly run in MOLREP): > >>> > >>>#Sol_RF 1 0.00 0.00 0.00 270.00 0.00 90.00 3212. 26.18 > Sol_RF 2 70.90 > >>>0.00 180.00 0.00 141.81 180.00 1238. 10.09 #Sol_RF 3 146.27 0.00 > >>>180.00 180.00 67.46 0.00 433.6 3.53 #Sol_RF 4 48.18 0.00 > 180.00 0.00 > >>>96.36 180.00 376.4 3.07 #Sol_RF 5 85.47 0.00 180.00 0.00 170.94 > >>>180.00 331.5 2.70 #Sol_RF 6 86.29 80.98 180.00 80.98 172.57 99.02 > >>>317.3 2.59 #Sol_RF 7 157.51 0.00 19.50 260.98 7.43 80.98 > 317.3 2.59 > >>>#Sol_RF 8 0.00 -45.00 170.44 170.44 0.00 0.00 294.4 2.40 #Sol_RF 9 > >>>0.00 45.00 -170.44 189.56 0.00 0.00 294.4 2.40 #Sol_RF 10 > 72.70 10.28 > >>>180.00 10.28 145.41 169.72 291.4 2.38 > >>> > >>> > >>>Thanks for the comments. > >>> > >>>_________________________________________________________________ > >>>On the road to retirement? Check out MSN Life Events for advice on > >>>how to get there! > >>>http://lifeevents.msn.com/category.aspx?cid=Retirement > >>> > >> > >>_________________________________________________________________ > >>FREE pop-up blocking with the new MSN Toolbar - get it now! > >>http://toolbar.msn.click-url.com/go/onm00200415ave/direct/01/ > >> > >> > >> > > > > > ><< ccp4.vcf >> > > _________________________________________________________________ > FREE pop-up blocking with the new MSN Toolbar - get it now! > http://toolbar.msn.click-url.com/go/onm00200415ave/direct/01/ > > > Disclaimer This communication is confidential and may contain privileged information intended solely for the named addressee(s). It may not be used or disclosed except for the purpose for which it has been sent. If you are not the intended recipient you must not review, use, disclose, copy, distribute or take any action in reliance upon it. If you have received this communication in error, please notify Astex Therapeutics Ltd by emailing [EMAIL PROTECTED] and destroy all copies of the message and any attached documents. Astex Therapeutics Ltd monitors, controls and protects all its messaging traffic in compliance with its corporate email policy. The Company accepts no liability or responsibility for any onward transmission or use of emails and attachments having left the Astex Therapeutics domain. Unless expressly stated, opinions in this message are those of the individual sender and not of Astex Therapeutics Ltd. The recipient should check this email and any attachments for the presence of computer viruses. Astex Therapeutics Ltd accepts no liability for damage caused by any virus transmitted by this email. E-mail is susceptible to data corruption, interception, unauthorized amendment, and tampering, Astex Therapeutics Ltd only send and receive e-mails on the basis that the Company is not liable for any such alteration or any consequences thereof.
