[ccp4bb] Registration open: The Future of Microfocus Protein Crystallography

2013-07-22 Thread Marjolein Thunnissen
Dear all, I would like to remind you on a workshop on The Future of Microfocus Protein Crystallography which will take place at the MAX IV User meeting on the 24th and the 25th of September, 2013, in Lund, Sweden. Recent developments within protein crystallography methods in combination with

[ccp4bb] Research Fellow position available in Singapore

2013-07-22 Thread Yvonne TAN Yih Wan (ETC)
Hi, We are looking for highly motivated crystallographer, preferably fresh PhD graduate for the position of Research Fellow in the Experimental Therapeutic Centre, Agency for Science and Technology Research, Singapore. The centre focuses on drug-discovery research and the candidate will be

[ccp4bb] Where to cut the data in this medium resolution dataset

2013-07-22 Thread Stefan Gajewski
Hey! I was reading a lot lately on data processing and the ongoing debate in the community on how to submit Table 1. Here is an example of medium resolution data integrated with XDS, merged in SCALA and preliminarily refined in phenix. Overall

Re: [ccp4bb] Where to cut the data in this medium resolution dataset

2013-07-22 Thread Nat Echols
On Mon, Jul 22, 2013 at 10:19 AM, Stefan Gajewski sgajew...@gmail.comwrote: The maps shows signs of over fitting, the B-factors do not look correct in my opinion. What do correct B-factors look like? What refinement strategy did you use for them? Note that the R-free value in the 3.4A

[ccp4bb] FW: [ccp4bb] which space group?!?

2013-07-22 Thread Katherine Donovan
Hi, The density in both space groups looks very similar, with no obvious differences. The data was processed in XDS followed by refinement in REFMAC and then PHENIX. Yes, the statistics of the orthorhombic structure is probably more realistic. But when both are refined in REFMAC these

Re: [ccp4bb] post to ccp4bb

2013-07-22 Thread Ethan Merritt
On Monday, 22 July 2013, Katherine Donovan wrote: Hi All, I have a data set that was collected to about 2.2A, which I have processed in either P21 (to 2.4 A) or C2221 (2.25A). So I'm confused. You may not know what the spacegroup is, but you are processing the same spots either way. Why

Re: [ccp4bb] post to ccp4bb

2013-07-22 Thread Engin Özkan
On 7/22/13 11:20 PM, Ethan Merritt wrote: Which brings up the point that something seems to have gone wrong in one of your processing runs. Both runs claim mean (I/sigI) in the outer shell is 2.0, but in one case this is for the 2.4A shell and in the other case it's for the 2.2A shell. That is