Re: [ccp4bb] combining phase information from a Se-Met and Hg SAD data sets

2009-06-16 Thread Bjørn Panyella Pedersen
It is possible and should definitely be tried. SHARP works very well for MIRAS phasing in our experience. -Bjørn Arnon Lavie wrote: Hi, we collected SAD data sets to 3.0 A on our protein, once as a Se-Met protein and once soaked with a mercury compound. Data statistics indicate an anomalous

Re: [ccp4bb] quaternary structure comparison

2009-06-16 Thread Eugene Krissinel
Dear Eike, depending on what your structure is - you can try interface search in PISA (google on "ebi pisa"). Select the most "representative" interface in your complex (the one that makes the non-standard arrangement) and see whether there are similar interfaces in the PDB. It shouldn't be a too

[ccp4bb] Problem with P1 space group locating just One heavy atom

2009-06-16 Thread 孙建
Dear all: I have a problem in locating heavy atom in P1 space group.My protein is 169 residue.There are 2 molecular per asymmetry unit according Matthews coefficient.I have soaked my protein in Hg solution.I collected the data at 1A wavelength and the anomalous d" is about 3 at low resoluti

[ccp4bb] For Sale - Rigaku MicroMax-007 HFM X-ray Generator

2009-06-16 Thread H Park
Dear crystallographers, I want to post my intention of sale of our Rigaku MicroMax-007 HFM X-ray generator. The generator was originally purchased by Scripps FL in 2007 but was replace with a new generator by an insurance company shortly after that. So we are left with two generators and selling th

[ccp4bb] Possible C2 Twinning

2009-06-16 Thread Jeffrey D Brodin
Dear ccp4bb, I've recently run into a problem refining a crystal structure that I indexed and performed a molecular replacement on as C2. The unit cell dimensions are a=96, b=95.8, c=58.1 and beta=127; Rmrg=.195. The data go down to a resolution of 2.8 angstroms. The data also index in I222,

Re: [ccp4bb] Possible C2 Twinning

2009-06-16 Thread Ian Tickle
Hi Jeffrey Re-indexing this in the conventional setting (i.e. beta nearest to 90 - for reasons no-one has yet been able to explain to me the standard d.p. programs do not make this choice automatically!) gives you space group I2 with cell: a=58.1 b=95.8 c=76.67 beta=90.24 With beta now so clo

Re: [ccp4bb] Possible C2 Twinning

2009-06-16 Thread Eleanor Dodson
There is a very useful program written by Phil Evans called othercell which gives alternate indexing ( The same functionality is in pointless) In this case it suggests: Alternative indexing schemes which lead to identical or similar cells are grouped on continuation lines if they are symmetry-r

Re: [ccp4bb] Problem with P1 space group locating just One heavy atom

2009-06-16 Thread George M. Sheldrick
If you have just one heavy atom in space group P1 you can simply place it at the origin (0,0,0). Phasing with SHELXC and SHELXE should then work fine if you have SAD, MAD or SIRAS data but if you only use SIR your map will be a double image that it will not be possible to resolve. Are you sure

[ccp4bb] Principal Scientist: Protein Crystallography position available - Australian Synchrotron

2009-06-16 Thread Sonya Sivaraj
Principal Scientist - Protein Crystallography Australian Synchrotron The Australian Synchrotron, a major new national facility, provides researchers from Australia, NZ and overseas with a powerful new tool for scientific and industrial research. The facility has applications in fields as diverse

[ccp4bb] Postdoctoral position at Brookhaven National Laboratory

2009-06-16 Thread Stojanoff, Vivian
POST DOCTORAL RESEARCH ASSOCIATE The National Institute of General Medical Sciences East Coast Structural Biology Research Facility, X6A beam line at the NSLS, Brookhaven National Laboratory has an immediate opening for Postdoctoral Research Associate position. Funded by the National Institute