Re: [ccp4bb] brute force molecular replacement

2009-02-02 Thread Nicholas M Glykos
Hi Xie, > Many thanks to all who responded to my earlier query (Drs. Paul > Swepston, Randy Read and Nicholas Glykos). I am trying to determine the > structure of a very long coiled coil dimer (roughly 150 residues long) > by molecular replacement. I don't know if it forms a canonical coiled

Re: [ccp4bb] difficult MAD dataset

2009-02-02 Thread Eleanor Dodson
With a pseudo translation vector like that the SG could be any of the 8 orthorhombic SGs; P222 P21 22 P21212 P212121 P2 21 2 P2 21 21 P 2 2 21 Test them all, and see if any give a dect solution.. Eleanor Alison Li wrote: We recently collected a complete 2.5A MAD dataset. However, finding a sol

[ccp4bb] dry shipper & FedEx

2009-02-02 Thread gohlke, ulrich
Dear colleagues, I am having the pleasure to organise a shipment of frozen crystals from Germany to the UK, and the only way to do this seems to send them by FedEx in a dry shipper (Taylor & Wharton CP100). My question is, has anybody (perhaps from Germany?) done this before and give me som

[ccp4bb] scaling a SAD data set

2009-02-02 Thread Vesna Serrano
Dear all, I have a problem with a SAD data set. My crystal is very sensitive to radiation damage, so I have collected 2 110 frame data sets, 180 deg apart. I have processed the data with HKL2000 and it turns out that the 2 sets have very different scales. My question is whether it would be possible

Re: [ccp4bb] scaling a SAD data set

2009-02-02 Thread Ethan A Merritt
On Monday 02 February 2009, Vesna Serrano wrote: > Dear all, > I have a problem with a SAD data set. My crystal is very sensitive to > radiation damage, so I have collected 2 110 frame data sets, 180 deg > apart. I have processed the data with HKL2000 and it turns out that the 2 > sets have very di

[ccp4bb] BEAMTIME AT SLS X06DA

2009-02-02 Thread Meitian Wang
= SYNCHROTRON BEAM TIME FOR MACROMOLECULAR CRYSTALLOGRAPHY AT THE SUPERBENDING MAGNET BEAMLINE X06DA AT SLS = Deadline: Sunday, February 15, 2009 Periods: May 1, 2009

Re: [ccp4bb] dry shipper & FedEx

2009-02-02 Thread Edward Snell
If it is dry (charged with LN2 but empty of free liquid) you can ship it as non-Dangerous goods. The key words for FedEx (or any air shipping agent) are "Non-Restricted" Non-hazardous, non-toxic, and non-flammable are assumed as you are shipping it non-hazardous. It is useful to have on the shi

Re: [ccp4bb] UV-transmissible plate seals 96-well format

2009-02-02 Thread V. Nagarajan
ClearSeal film from Hampton works with our UVEX UV microscope, despite some attenuation of UV light. For hanging drops, Greiner BioOne's films are the best. V. Nagarajan JAN Scientific, Inc. http://janscientific.com -Original Message- From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.u

[ccp4bb] UV-transmissible plate seals 96-well format

2009-02-02 Thread Christoph Parthier
Hi, Can anyone recommend any UV-transmissible (280 nm), adhesive seals (pre-cut) for 96-well crystallization plates (Greiner, MRC)? We would like to use them on an crystal imaging system with UV option (RIGAKU). I've checked seals from Zymark/Calliper Lifescience with a regular photometer and the

[ccp4bb] error message on installation of ccp4i on linux red hat enterprise 5.0

2009-02-02 Thread Eric Liu
Hi All, I just downloaded and installed ccp4 in my home directory. The installation went quite smoothly. For individual ccp4 programs, it seems working ok. however, when I type ccp4i, it gave a bunch error message. here are the error message: Top level CCP4 directory is /home/X/programs/ccp4-6

[ccp4bb] Fwd: [ccp4bb] dry shipper & FedEx

2009-02-02 Thread Aleksander Roszak
Hi Uli, When we send our dry shipper from UK to ESRF, Grenoble, via FedEx we place a following note on the box: DRY SHIPPER, Non-hazardous, non-toxic, non-flammable, non- restricted. Conforms with the IATA regulations Special Provision A800 We write the same in the Contents place of the I

Re: [ccp4bb] small lines in diffraction pattern

2009-02-02 Thread Gloria Borgstahl
Gees, I go to Washington DC for a couple of days and then a superbowl party, come back to my stack of emails and find out I missed out on all the fun... again! At first glance I thought it looked like a problem with the CCD detector overloads, but that apparently has been ruled out. Looks like y

Re: [ccp4bb] brute force molecular replacement

2009-02-02 Thread Anastassis Perrakis
Hi - With good 2.0 A data (as you seem to have) and a correct solution, I would be rather surprised if ARP/wARP - REFMAC5 would not refine and build a model without major trouble. Did you try that at all ? To be more detailed I would: 0. Put the mol rep solution in ARP/wARP and let it run (i

Re: [ccp4bb] error message on installation of ccp4i on linux red hat enterprise 5.0

2009-02-02 Thread Tru Huynh
On Mon, Feb 02, 2009 at 02:16:38PM -0500, Eric Liu wrote: > Hi All, > > I just downloaded and installed ccp4 in my home directory. The installation ... > Error in startup script: unknown color name "black" check your /etc/X11/xorg.conf for a missing/extra line -> RgbPath "/usr/share/X11/rgb" Tru

[ccp4bb] Beam time available @ the NIGMS beam line at the NSLS

2009-02-02 Thread Stojanoff, Vivian
Beam time available @ X6A http://protein.nsls.bnl.gov The NIGMS beam line X6A at the National Synchrotron Light Source provides FAST access to beam time through out the year. To apply submit a short proposal to http://protein.nsls.bnl.gov at any time. Proposals are continuously reviewed an

[ccp4bb] Postdoctoral Position in Structural Biology

2009-02-02 Thread Choel Kim
We are seeking a talented and motivated individual to join the Department of Pharmacology at Baylor School of Medicine (Vacancy number at BCM job site:175287AC). We study-function relationship of proteins in NO/cGMP signaling pathway. We use a highly interdisciplinary approach including x-

Re: [ccp4bb] error message on installation of ccp4i on linux red hat enterprise 5.0

2009-02-02 Thread Eric Liu
The problem was fixed. I changed the original RgbPath in /etc/X11/xorg.conf from "/usr/X11R6/lib/X11/rgb" to "/usr/share/X11/rgb". I can now run ccp4i. Thanks everyone for pointing it out. Eric On Mon, Feb 2, 2009 at 4:43 PM, Tru Huynh wrote: > On Mon, Feb 02, 2009 at 04:23:18PM -0500, Eric

[ccp4bb] Postdoctoral position on calcium channels in Vancouver, Canada

2009-02-02 Thread Filip Van Petegem
A postdoctoral position is available in the lab of Filip Van Petegem at the University of British Columbia. Our lab focusses on calcium channels in both the plasma membrane and intracellular compartments. Calcium is an important 2nd messenger and channels allowing influx of calcium into the cytop

Re: [ccp4bb] brute force molecular replacement

2009-02-02 Thread Clemens Vonrhein
Hi Tassos, On Mon, Feb 02, 2009 at 11:13:28AM +0100, Anastassis Perrakis wrote: > To be more detailed I would: > > 0. Put the mol rep solution in ARP/wARP and let it run (in the meantime > proceed to 1-3 if 0. fails ...) ^^^ You didn't tell us what point 1 is: > 2. Do some density

Re: [ccp4bb] Fobs - Fobs

2009-02-02 Thread Eleanor Dodson
Rana Refaey wrote: Hi, I was wondering if anyone knows what programme I need to use to subtract the Fobs of two different crystals from each other. Regards, Rana _ Invite your mail contacts to join your friends list with Windows

Re: [ccp4bb] brute force molecular replacement

2009-02-02 Thread Anastassis Perrakis
On Feb 2, 2009, at 11:39, Clemens Vonrhein wrote: Hi Tassos, On Mon, Feb 02, 2009 at 11:13:28AM +0100, Anastassis Perrakis wrote: To be more detailed I would: 0. Put the mol rep solution in ARP/wARP and let it run (in the meantime proceed to 1-3 if 0. fails ...) ^^^ You didn

[ccp4bb] Refmac5 and dual conformation of a dual conformation

2009-02-02 Thread Andy Millston
I am currently trying to refine a structure where a 5 residue stretch of a chain is in 2 conformations. Oddly enough, 1 of these 5 residues is in dual conformations in both the conformations! Is there a conventional nomenclature for defining such dual-dual conformations? Refmac5 does not accept

Re: [ccp4bb] Refmac5 and dual conformation of a dual conformation

2009-02-02 Thread Dale Tronrud
I have battled a similar piece of structure in a recent project. There is no software in crystallography that can handle hierarchical alternative conformations w/o tricks. I was refining in Shelxl but the same trick will work elsewhere. I had to define a new residue type, with two heads. The

[ccp4bb] Barely one week remains to apply for RapiData, the BNL Course on Synchrotron Data Collection and Structure Solving.

2009-02-02 Thread Robert Sweet
The application deadline is 8AM EST Monday 9 February for RapiData 2009, the eleventh offering of our popular course: Rapid Data Collection and Structure Solving at the NSLS: A Practical Course in Macromolecular X-Ray Diffraction Measurement The course will be held 19-24 April 2009. Students

[ccp4bb] Neutron Protein Crystallography Call for Proposals

2009-02-02 Thread Paul Langan
PROTEIN CRYSTALLOGRAPHY STATION AT LANSCE -- CALL FOR PROPOSALS for Run Cycle Beginning the June 2009 You are invited to apply for beam time on the neutron Protein Crystallography Station (PCS) at the Los Alamos Neutron Science Center. The