Re: [ccp4bb] CCP4 rotation convention

2007-08-15 Thread Ian Tickle
Hi Bernhard The CCP4/PDBSET/ALMN/AMORE (but NOT X-PLOR ...) convention is: gamma about z, beta about *fixed* y, alpha about *fixed* z OR alpha about z, beta about *rotated* y, gamma about *rotated* z. ... but NOT any other combination of these!!! In t

Re: [ccp4bb] Rejected posting to CCP4BB@JISCMAIL.AC.UK

2007-08-15 Thread Ian Tickle
All - is anyone else getting this response every time they post a message or is it just me? The received header shows <[EMAIL PROTECTED]> (ms1.kissei.co.jp [210.238.65.82]). -- Ian > -Original Message- > From: JISCMAIL LISTSERV Server (14.5) > [mailto:[EMAIL PROTECTED] > Sent: 15 Augus

Re: [ccp4bb] Rejected posting to CCP4BB@JISCMAIL.AC.UK

2007-08-15 Thread Andy Purkiss-Trew
Hi Ian and list, I don't know about rejected postings, as I've not made any recently, but I am getting two copies of each posting made and the second has gone through the same server as below: Received: from ms1.kissei.co.jp ([210.238.65.82]) by a12536.general.kissei.co.jp (Lotus Domino R

Re: [ccp4bb] Rejected posting to CCP4BB@JISCMAIL.AC.UK

2007-08-15 Thread Kay Diederichs
Ian, yesterday evening I posted "Re: [ccp4bb] coot in stereo". I then got an email "Rejected posting to CCP4BB@JISCMAIL.AC.UK" . The header indicates that it indeed comes from ictmailer1.itd.rl.ac.uk; no other email address but mine is involved. I have no explanation for this as I surely only

Re: [ccp4bb] Rejected posting to CCP4BB@JISCMAIL.AC.UK

2007-08-15 Thread Eleanor Dodson
Ditto - I am getting everything in duplicate Eleanor Andy Purkiss-Trew wrote: Hi Ian and list, I don't know about rejected postings, as I've not made any recently, but I am getting two copies of each posting made and the second has gone through the same server as below: Received: from ms1.kiss

Re: [ccp4bb] CCP4 rotation convention

2007-08-15 Thread Ian Tickle
Bernhard Sorry, correction, this statement in my last posting is not correct: "... by having first say gamma, then beta, then alpha about rotated axes: the component matrices are the same as for the correct rotated axis case, but because they are multiplied in reverse order it will give you a c

Re: [ccp4bb] Rejected posting to CCP4BB@JISCMAIL.AC.UK

2007-08-15 Thread Charles Ballard
Check, thanks for the heads up. I have removed the eiichi_tsuiji address from the list, which I guess was bouncing e-mails (miss configured spam filtering perhaps). Interestingly, this was not one of the 51 addresses being monitored. We are running with automatic removal to try and redu

[ccp4bb] ID-13 XDS.INP

2007-08-15 Thread Dr. Colin W. Levy
Apologies for the non CCP4 question. Does anyone have an XDS.INP file that is configured for data from ID-13 ESRF. The specific setup I am after is from several years back when the station was arranged with a MAR 133 CCD detector. I have thus far tried and failed to get a standard XDS.INP to run c

Re: [ccp4bb] coot in stereo

2007-08-15 Thread Oganesyan, Vaheh
Similar thing was happening on the dual Xeon 2.8 GHz machines in "O" as well. But it was 2-5 sec long in time. Vaheh Oganesyan -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] Behalf Of Kay Diederichs Sent: Tuesday, August 14, 2007 3:54 PM To: CCP4BB@JISCMAIL.AC.UK

[ccp4bb] test 2

2007-08-15 Thread Eleanor Dodson
test 2

Re: [ccp4bb] ID-13 XDS.INP

2007-08-15 Thread Kay Diederichs
Dr. Colin W. Levy schrieb: Apologies for the non CCP4 question. Does anyone have an XDS.INP file that is configured for data from ID-13 ESRF. The specific setup I am after is from several years back when the station was arranged with a MAR 133 CCD detector. I have thus far tried and failed to ge

[ccp4bb] New CCP4 Molecular Graphics (1.1beta2)

2007-08-15 Thread CCP4 Molecular Graphics Team
Hello CCP4bb, CCP4mg version 1.1 (beta2) is now available from http://www.ysbl.york.ac.uk/~ccp4mg New features include: Picture Wizard - set up standard scenes automatically (and easier labeling) Less automatic superposition to complement the SSM automatic tools Lipid cartoons Editable picture

[ccp4bb] SGI Indigo II question

2007-08-15 Thread David Roberts
Hi all, I have several (5 at least) SGI Indigo II systems that I used for crystallography for years. I'm looking to see if anybody needs them for parts/use? I'm not looking to make money here, but I don't want to pay anything either (so you pay shipping/packaging and you can have them). Al

[ccp4bb] test

2007-08-15 Thread Eleanor Dodson
test..

[ccp4bb] Oligomer which lacks conformational cooperativity

2007-08-15 Thread Jacob Keller
Sorry about this not being exactly CCP4 related, but I think it is still of general interest to the structural biology community: I am dealing with a membrane protein which seems, on the surface, to present a contradiction: We know from western blots and other data that this protein forms olig

Re: [ccp4bb] Oligomer which lacks conformational cooperativity

2007-08-15 Thread Daniel Schlieper
Hi Jacob, as far as I understand it, proteins also oligomerise to share a stable core. For example, some proteins form tetramers and minimise the material needed to form a scaffold around their active centres. Could that be the case for your protein as well? Best regards, Daniel -- Daniel Schl

Re: [ccp4bb] Oligomer which lacks conformational cooperativity

2007-08-15 Thread Jacob Keller
I forgot to mention we also tried urea, at various concentrations. JPK ==Original message text=== On Wed, 15 Aug 2007 11:39:14 am CDT Jacob Keller wrote: Sorry about this not being exactly CCP4 related, but I think it is still of general interest to the structural biol

[ccp4bb] "Dry" structures

2007-08-15 Thread Sabini, Elisabetta
Dear all, what does it mean when a structure doesn't have many water molecules? I have a 2.3A data set, 2 molecules in the AU (260 residues each), space group C2221 - I haven't finished my water search but I don't seem to have more than 20-30 obvious/good water molecules. The Rfac/Rfree are 22/30

Re: [ccp4bb] "Dry" structures

2007-08-15 Thread Kumar, Abhinav
Hi, Here is a result (attached) of analyzing over 2000 Structural Genomics structures. At ~2 A resolution, you would roughly expect 1 water for every two residues. Thanks Abhinav Stanford Synchrotron Radiation Laboratory Joint Center for Structural Genomics Mail Stop 99 Phone: (650) 926-2

[ccp4bb] model DNA-binding crystals?

2007-08-15 Thread Frank von Delft
Hi, anyone know of a lysozyme-equivalents for protein-DNA complexes? i.e. a protein that a) is easy to obtain (preferably purchase) b) binds some bit of DNA well c) crystallizes easily as protein-DNA complex Cheers phx

Re: [ccp4bb] follow up on model DNA-binding crystals?

2007-08-15 Thread Das, Debanu
Hi Frank, I forgot to mention that the once purified, the protein is fairly stable and can be frozen and re-used for continued crystallization experiments. So, even though it is not available for purchase, it is a convenient system and having worked on it, it seems to me to be a model protein

Re: [ccp4bb] model DNA-binding crystals?

2007-08-15 Thread Das, Debanu
Hi Frank, The N-terminal catalytic fragment/polymerase domain of the MuLV Reverse Transcriptase is easy to express (large yield of soluble protein in E. coli expression, ~270 aa), purify (3 steps) and crystallize (overnight to couple of days with microseeding) with short stretches of DNA (8-1

[ccp4bb] Structure help

2007-08-15 Thread Yanming Zhang
Hi , Please help me on this structure: Data 1.8A: cell 84.892 84.892 172.580 90 90 90 with tetrahedral index Space group: P43212 or P43, Final refinement Rfree indicates P43 is better so most likely P43(also the systematic absence indicate P43 is it) Matthew coeffient indicates: P43 3mol/a.u(2.5

Re: [ccp4bb] Structure help

2007-08-15 Thread Juergen Bosch
Hi Yanming, when you use your two correctly placed molecules have you tried to calculate a composite omit map using CNS. I assume your crystal lattice does not look very well packed when you only have two molecules per asu ? That would be a good indication that your third molecule is truly th

Re: [ccp4bb] Structure help

2007-08-15 Thread Das, Debanu
Hi Yanming, >>Story ends with my questions: >>1,It seems the 3rd copy non-exist or globally disordered, under this >>circumstance, can I say 'because of the 3rd molecule is globally disordered >>so >>>Rfree and R stay high (2mol/a.u with Rfree 30% R 27%, 1.8A data)? After finding the first

Re: [ccp4bb] Structure help

2007-08-15 Thread George M. Sheldrick
Maybe it is really P43 but twinned, with probably only two molecules in the asymmetric unit. You can easily check this by putting it into SHELXL with the instructions TWIN 0 1 0 1 0 0 0 0 -1 and BASF 0.4, or with the new phenix refine (still beta test I think). Or wait for the next REFMAC. Geor