[ccp4bb] practical workshop on sample preparation for Cryo-EM - application deadline 25th November - 12 places available for EU based scientists

2016-10-28 Thread Martin Walsh
Dear all We are pleased to announce a practical workshop for preparation of samples for Cryo-EM which will run from the 9th to 11th January 2017 at eBIC @ Diamond light source. The course is funded by eBIC and the Horizon 2020 project iNEXT (http://www.inext-eu.org ) with the support of FEI.

Re: [ccp4bb] Two SGs in one droplet?

2016-10-28 Thread Phoebe A. Rice
Back in my grad school days, we had crystals (of gamma delta resolvase large fragment) like that: at high protein concentrations, we'd get P6422 with 1/asymmetric unit, and at lower concentrations, C2221 with 3/asymmetric unit (with an imperfect ncs 2fold 60 degrees from the xtal fold, and very

Re: [ccp4bb] intensity statistics and twinning

2016-10-28 Thread Kay Diederichs
Hi Hauke, so your refinement results in P1 seem to say it's untwinned. I don't see (but I may be overlooking something?) the evidence, from what you write, that it could not be P21 or P2, because any P2 or P21 structure can be refined in P1 (but of course not the other way round). In other

Re: [ccp4bb] Two SGs in one droplet?

2016-10-28 Thread Roger Rowlett
I've seen this kind of thing before. Case 1: two crystal forms in the same droplet, C2 and C222. If you looked closely, you could tell them apart and I was pretty good at getting a high percentage of the desired space group by looking at the crystal forms. The C2 form diffracted better, so I

Re: [ccp4bb] intensity statistics and twinning

2016-10-28 Thread Tim Gruene
Dear Hauke, when you use twin refinement, your R-factor is bound to drop whether it is twinned or not. In your case Rfree rises, which is actually hinting at your data not being twinned. How many reflections do you have in the Rfree set? Best, Tim On Friday, October 28, 2016 1:59:29 PM CEST

Re: [ccp4bb] intensity statistics and twinning

2016-10-28 Thread Hillen, Hauke
Dear Kay, Thank you for your answer! I have meanwhile processed my anomalous data also also as P1 and solved the structure with MR-SAD in P1, which works flawlessly and gives the same solution. Compared to P21, I now have 4 instead of 2 molecules in the ASU, which makes sense. I then tried

Re: [ccp4bb] intensity statistics and twinning

2016-10-28 Thread Kay Diederichs
Dear Hauke, the conversion of intensities to amplitudes is an area with unsatisfactory solutions, and the approaches of (and the assumptions made by) the different programs differ. Low-resolution data are often anisotropic, which adds difficulties. You could try CCP4 truncate/ctruncate and

Re: [ccp4bb] Good 3D Monitor for Molecular Modelling

2016-10-28 Thread David Schuller
The last I heard (which was a while ago), Windows could run the stereo emitter over USB with a Geforce card, but Linux still needed a Quadro card with the 3 pin mini-DIN connector. I hope this is no longer true, but I have not heard clear information to the contrary. Note that the text you

Re: [ccp4bb] Two SGs in one droplet?

2016-10-28 Thread Harry Powell
Hi Something I'd do is try different programs for the indexing to see if you get both choices with any programs - Mosflm & XDS will give you the 44 characteristic lattices and cell parameters by default (so you can easily see if anything like the C2 cell is a straightforward transformation of

Re: [ccp4bb] Two SGs in one droplet?

2016-10-28 Thread Bert Van-Den-Berg
It is entirely possible (fairly common) to have two different crystals in one drop. If the habits are the same I'd expect the same cell, but that doesn't have to be the case. Likewise, if the habits are different I'd expect different cells, but again that is not necessarily the case. bert

Re: [ccp4bb] Two SGs in one droplet?

2016-10-28 Thread David Briggs
Hi Sam, Yes. I've had 2 different crystal forms from the same drop. C2 vs C2221. Completely different packing, despite that fact that 2 of the cell edges were within an angstrom or two of each other. In the above case, I soaked ligand into the crystals, one form had ligand bound, one didn't,

Re: [ccp4bb] Two SGs in one droplet?

2016-10-28 Thread Artem Evdokimov
Good morning, 53 x 2 = 106 79 x 2 = 158 Awfully close to 156 and 105 in the C-group. Are you sure there is no tricky twinning or faulty indexing of some sort - in either of these space group assignments? On the other hand, I have seen two different habits and different spacegroups growing from

[ccp4bb] Two SGs in one droplet?

2016-10-28 Thread Sam Tang
Dear all Sorry for going a bit off-topic in this thread. May I seek your advice as on whether you have experienced that crystals being obtained from the same droplet, looking alike under microscope (rod shape) and in fact growing possibly from a same nuclei, give two space groups after indexing?

Re: [ccp4bb] Good 3D Monitor for Molecular Modelling

2016-10-28 Thread Johannes Cramer
Hi Matt, I guess you are talking about hardware. For a year or so, this should have become quite cheap. A recent Nvidia Geforce card, a 120 Hz 3D Monitor and a 3D vision kit should do the trick. However, personally I only have experiences with the "professional" NVidia quadro grafics card series.