Re: [ccp4bb] Stereo monitor

2013-11-21 Thread Eric Bennett
Hi David, We have had success with the ASUS VG248QE connected with DisplayPort, on an HP Z620 running RHEL 6.4. We like to have dual stereo displays on Linux, and Nvidia is discontinuing many of the cheaper multi-DVI-port cards. We had no success trying to take two Acer DVI monitors and conn

Re: [ccp4bb] Dealnig with O-linked mannose

2013-11-21 Thread Zhijie Li
It seem the LINK line I provided eariler was chopped by the email system. Here it is again: LINKRC1**MAN*C***1*OG**SER*B*912MAN-SER Simply replace each * with a space and change the residue IDs. Also to clarify the procedure of using refmac to generate the

Re: [ccp4bb] Dealnig with O-linked mannose

2013-11-21 Thread Zhijie Li
Hi Dmitry, COOT does have the MAN-SER linkage record in its monomer lib, but it won't detect the bond for you. It also haven't provided an interface for the user to specify the bond type yet. The COOT procedure you described is perfectly fine for generating a generic covalent bond record for a

Re: [ccp4bb] Dealnig with O-linked mannose

2013-11-21 Thread Zhijie Li
Hi Engin, Thanks for the information! I didn't realize that O-glycans can also be specified as specific linkages like N-glycans. Those two extra angle restraints should be helpful. Zhijie -Original Message- From: Engin Özkan Sent: Thursday, November 21, 2013 1:00 PM To: Zhijie Li

Re: [ccp4bb] Dealnig with O-linked mannose

2013-11-21 Thread Dmitry Rodionov
Thank you all for helpful suggestions. My question was how to properly connect a mannose to a serine and real-space refine the result. My apologies for not being clear enough. Coot can't find MAN-SER or SER-MAN in it's library (Coot 0.7.1, mon_lib 5.41) It does not automatically make the bond be

Re: [ccp4bb] Stereo monitor

2013-11-21 Thread David Schuller
On 11/21/13 07:50, mesters wrote: ...(both handle the dual link DVI-D standard)... Are there any monitors on the market yet which can produce stereo 3D from a Displayport 1.2 input? With or without a built-in emitter. -- ==

Re: [ccp4bb] the f' and f'' of heavy cluster

2013-11-21 Thread Christian Roth
Hi, one could indeed get much better phases with the correct positions of the HA cluster. If there is sufficient anomalous signal one could use the cluster as search model for Molecular replacement using the anomalous data as described in Dahms et al. to get the exact position of the cluste

Re: [ccp4bb] the f' and f'' of heavy cluster

2013-11-21 Thread Dyda
Dear Lisa, You are not saying how far your data extends in resolution. In my experience, finding the cluster(s) can work better if you limit your data used in the search ~5A, as scattering goes down beyond this due to interference between atoms of the clusters. It does come back at higher scat

Re: [ccp4bb] the f' and f'' of heavy cluster

2013-11-21 Thread Jason Busby
If you set the atom type to "TX", phaser will use the built-in scattering factors for the tantalum bromide cluster. This will be represented as a point scatterer rather than the actual cluster - if you have very good data you may be able to actually position the tantalum atoms in the cluster an

Re: [ccp4bb] Stereo monitor

2013-11-21 Thread mesters
Sorry, I have to correct a wrong statement in my previous email.. I own a CLUB 3D mini displayport to active dvi dual link adaptor 330 mhz stereo 3d gaming cable (the 270 mhz model is the wrong model so do not buy the 270 mhz one!!!) - J. -

Re: [ccp4bb] Stereo monitor

2013-11-21 Thread Andreas Förster
I second everything Jeroen said except the need for a €450 graphics card. We have a Quadro 600, which was only £105 or something like that. The slightly cheaper Quadro 400 would have worked as well. There are now successors to these cards. Unless something has changed in their specification

Re: [ccp4bb] How can I find the other molecule in the asymmetric unit?

2013-11-21 Thread Bosch, Juergen
What is the solution to this? Hi Meisam, you have it, it is just three molecules in the asu. Look at the overall crystal lattice packing and see if you have contacts supporting each molecule. Generate a large representation of your symmetry mates, I suspect you have a channel in your crystal lat

Re: [ccp4bb] Stereo monitor

2013-11-21 Thread Sabuj Pattanayek
The quadro 600 or k600 works fine, been using it for more than a year with that Asus with the built in emitter. In fact the absolute oldest and cheapest option which works is the quadro 370, but you'll want the 600 at least. On Thu, Nov 21, 2013 at 9:19 AM, mesters wrote: > Hi Andreas, > > the

Re: [ccp4bb] Sokalan cp 42 as a cryoprotectant

2013-11-21 Thread Jim Pflugrath
Here's an easy experiment to try: What happens when you flash-cool your reservoir solution in Liquid Nitrogen? Does it remains "glass-clear" at 100 K or lower? Jim From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of abhimanyu singh [abhising

[ccp4bb] Sokalan cp 42 as a cryoprotectant

2013-11-21 Thread abhimanyu singh
Dear all, Recently I got couple of crystallization hits in conditions containing 30-40% sokalan cp 42 provided in MIDAS commercial screen from molecular dimensions. I tried to look up for information regarding its probable cryo protection activity but failed to find anything. Could someone have an

Re: [ccp4bb] Sokalan cp 42 as a cryoprotectant

2013-11-21 Thread Clemens Grimm
Dear Abhimanyu, Sokalan CP42 is a modified polycarboxylate with 'medium' molecular weight. In terms of cryoprotective properties it is likely to behave similar to PEG 2. Try adding 25-35% glycerol as a starting point. Best, Clemens Zitat von abhimanyu singh : Dear all, Recently I g

Re: [ccp4bb] Orientation of molecules

2013-11-21 Thread Phil Jeffrey
* Open molecular replacement solution in Coot * Display crystal packing (Draw>Cell & Symmetry), perhaps as Calphas only * Find the symmetry-related instance of copyB that is in the correct position relative to copyA according to your preferences * Use File>Save Symmetry Coordinates to write the s

Re: [ccp4bb] Dealnig with O-linked mannose

2013-11-21 Thread Engin Özkan
Hi, On 11/20/13, 4:17 PM, Zhijie Li wrote: If you need to refine the structure with phenix.refine then you need to make an edit file to specify that the mannose C1 is linked to the ser OG by a covalent bond. I am not sure if this is what was meant, but you don't need to define bonds explicitl

Re: [ccp4bb] Orientation of molecules

2013-11-21 Thread Appu kumar
Dear All, I think i have not explained my problem precisely. This may be weird one but let me elaborate more. I have have a protein moleculeA, having N-term, and C-term end. Structurally, it is dimer with anti-parallel arrangement i.e N-terminal of one copyA of molecule form dimer in

Re: [ccp4bb] How can I find the other molecule in the asymmetric unit?

2013-11-21 Thread Mark J van Raaij
half-seriously...old-school method: - apart from the excellent suggestions by Juergen and Phil, you could experimentally determine the density of the crystals and calculate their protein content from that. This looks like a fun method to try: http://journals.iucr.org/j/issues/1999/05/00/wb0070/wb

[ccp4bb] Orientation of molecules

2013-11-21 Thread Appu kumar
Dear All, I seek your valuable suggestion on a MR problem. I am asking phaser to search for two molecules in ASU, first molecules phaser searched right but when placing the second molecule, it orientation has got flipped by 180 deegree. Is there any way to tell phaser to fix the ori

Re: [ccp4bb] How can I find the other molecule in the asymmetric unit?

2013-11-21 Thread Phil Jeffrey
Meisam: Probabilities are just that: many of us have had structures with large solvent contents that are statistically unlikely. Pedantic quibble: "It scales in P21 Space group with 7% linear Rfactor." really means that it scales in primitive monoclinic with a reasonable Rsymm, and I hope y

[ccp4bb] AW: [ccp4bb] Dealnig with O-linked mannose

2013-11-21 Thread Herman . Schreuder
Dear Dmitry, I only work with N-glycosylated proteins and here the people from coot and refmac have done a wonderful job in creating all necessary dictionaries. I would be very surprised if this would not be true for O-glycosidic bonds. Instead of reinventing the wheel myself, I would first try

[ccp4bb] Stereo monitor

2013-11-21 Thread Tobias Beck
Dear all, We are looking into ordering a stereo monitor. I am aware that this question comes up every so often on this BB (and I read the post by Alice), but maybe someone has any comments or recent experience with passive vs. active monitors? And: Which graphics card can you recommended? The mon

[ccp4bb] Oxford Cryosystems 600 series Cryostream Cooler

2013-11-21 Thread Karen McIntyre
Oxford Cryosystems 600 series Cryostream Cooler We would like to offer an Oxford Cryosystems 600 series Cryostream Cooler free of charge. The recipient will have to arrange the shipping. Please contact Marty Rajaratnam (Randall division of Cell and Molecular Biophysics, King's College London) e

Re: [ccp4bb] the f' and f'' of heavy cluster

2013-11-21 Thread Clemens Vonrhein
Dear Lisa, [there is a SHARP discussion list at http://www.globalphasing.com/mailman/listinfo/sharp-discuss] On Thu, Nov 21, 2013 at 02:29:23PM +0800, LISA wrote: > Dear All, > > I am running autosharp with a single wavelength data soked with Ta6Br12. > This data collected at the wavelength of 1

Re: [ccp4bb] the f' and f'' of heavy cluster

2013-11-21 Thread George M. Sheldrick
Dear Lisa, You could try using SHELXD (e.g. via hkl2map) to find the heavy atoms, it doesn't need f' and f". However you should take into account that many soaks have not absorbed the intended heavy atoms or clusters, and that if a tantalum bromide cluster has actually been incorporated it will pr

Re: [ccp4bb] the f' and f'' of heavy cluster

2013-11-21 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Lisa, the wavelength indicates you collected the data at a synchrotron. Do you have a fluorescence scan of your crystal? That should tell you f' and f''. Other than that you can use Ethan Merritt's excellent server at http://skuld.bmsc.washingto

Re: [ccp4bb] the f' and f'' of heavy cluster

2013-11-21 Thread LISA
Dear Dr. Matthias Zebisch, how to do the specific cluster search in phaser sad pipline? Thank you. Lisa On Thu, Nov 21, 2013 at 3:37 PM, Matthias Zebisch < matthias.zebi...@bbz.uni-leipzig.de> wrote: > Dear Lisa, > > if you have proper anomalous data I rather recommend using the Phaser SAD > p