Re: [ccp4bb] MrBump and Balbes Molecular Replacement of multiple copies in ASU Failed even with high homology model

2016-10-31 Thread Randy Read
Dear Alex, We’ve had very good luck using Phaser to place large numbers of copies of good models. It’s in this kind of case where the increased sensitivity of the likelihood approach really helps. I would suggest trying the different choices of model as alternatives, and you might also want t

[ccp4bb] MrBump and Balbes Molecular Replacement of multiple copies in ASU Failed even with high homology model

2016-10-31 Thread Alex Lee
Hi All, I have a protein which contains 72 amino acids. The crystal of this protein diffracts to 2.5A with SG P31 (CELL Dimension 65.9590 65.9590 164.3900 90. 90. 120.). Pointless indicates no twinning. Mathew coefficient as below: For estimated molecular weight 7919. Nmol/asym Mat

[ccp4bb] Reminder: Towards novel therapies: Emerging insights from structural and molecular biology, 6-8 March 2017

2016-10-31 Thread Albert Guskov
Dear all, this is just to remind you that the deadline for the registration is fast approaching! (1st of December) In brief: we are organising a conference "Towards novel therapies: Emerging insights from structural and molecular biology" in the beautiful city of Groningen (the Netherlands) on 6-8

[ccp4bb] Open position: Senior Lecturer in Structural Biology

2016-10-31 Thread Uwe Müller
Dear all, let me please put your attention to this open position: Lund University, Faculty of Medicine, Lund University was founded in 1666 and is regularly ranked as one of the world’s top 100 higher education institutions. The University has 41 000 students and 7 500 staff based in Lund, Hels

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

2016-10-31 Thread mesters
Unfortunately the ASUS VG278H 27" with build-in IR-emitter is not produced anymore (about 500-600 US$), works under linux and windows without USB IR-emitter and thus with a simple nvidia quadro card. Anyway, any *decent* 3D gaming monitor will do the job, but you do need to buy Nvidia 3D Visio

[ccp4bb] Slightly off-topic: job opportunities at NKI, Amsterdam, NL

2016-10-31 Thread Robbie Joosten
Dear CCP4bb-ers, Below are two slightly off-topic (but still crystallography related) open positions. Please, forward this message to anyone you might is think interested. Best wishes, Robbie and Tassos // We are looking for two enthusiastic, efficient and responsible co-workers to join the R

Re: [ccp4bb] intensity statistics and twinning

2016-10-31 Thread Tim Gruene
Dear Hauke, others pointed out that there is little suspicious about your data, and you can probably continue refining in P21. You also have a reasonably large unit cell, so stick to the defaults regarding Rfree selection. 4.5A resolution is just quite hard to work with, but otherwise I don't t

Re: [ccp4bb] intensity statistics and twinning

2016-10-31 Thread Hillen, Hauke
Dear Tim, In this case, I was using my anomalous dataset truncated at 5A resolution for refinement and used Phenix to generate a Free R array: Number of work/free reflections by resolution: work free %free bin 1: 49.6881 - 10.7634 [4605/4610] 4403

Re: [ccp4bb] our inext course 2017

2016-10-31 Thread Eugene Osipov
Ooops!! Wrong address? P.S.: registration is not opened yet? 2016-10-29 14:26 GMT+03:00 Rikkert Wierenga : > Dear Marjolein, > > At the iNEXT meeting I wanted to discuss with you our 2017 iNEXT xray > course. But we were asked to cut down our budget and make changes in the > outline. From the beg

Re: [ccp4bb] Superpose program in CCP4

2016-10-31 Thread Tim Gruene
Dear Wenhe, lsqkab, which is also part of ccp4, can be adjusted for its output. It includes the option to print RMSD values for all atoms that the program matched. If you need even more fine-tuning, you might take a look at lsqman from the Uppsala Software Factory. Best, Tim On Monday, Octo