[ccp4bb] MIND in shelxd

2014-04-22 Thread Monica Mittal
Dear all How to decide for minimum distance between heavy atoms in shelxd esp w.r.t. S-SAD. Thanx in advance Monica

[ccp4bb] shelxd

2014-04-22 Thread Monica Mittal
Dear all I am naive in phasing experiments. CAn anyone please guide how to do the following: In a S-SAD for *SHELXD* searches, try various high-resolution cutoffs for example 2.5 to 5 Å in steps of 0.1 Å. Based on these attempts, use a high-resolution cutoff at for example 3.8 Å for substructure

[ccp4bb] AW: [ccp4bb] coot problems to decrease R FREE

2014-04-22 Thread Herman . Schreuder
Dear Peter, First a common misconception: your goal should be to get the best possible fit of your model to your electron density maps. Rfree is only an indicator, telling you whether you are moving in the right direction. So in coot, you should look for places where your model does not fit

Re: [ccp4bb] shelxd

2014-04-22 Thread Tim Gruene
Dear Monica, if you are new to phasing I recommend you first use the ``standard'' values in shelx c/d/e, either using one of my tutorials or, even better, the GUI hkl2map, available at http://webapps.embl-hamburg.de/hkl2map/. If your native data are about 2A or better, and your structure is a

[ccp4bb] Dehydration

2014-04-22 Thread Yahui Liu
Dear all, Right now, we are try to crystallise an protein complex. By all kinds of efforts, the resolution of the crystal was about 8 angstrom. So we would like to try dehydration. The precipitant that our crystal grew was ethanol. Since the evaporation of the ethanol, our crystal is unstable at

Re: [ccp4bb] shelxd

2014-04-22 Thread Jim Pflugrath
I think what one uses will depend on what one expects to be in the structure and the resolution and the quality of their diffraction data. I usually start with 1.8 Å resolution data in case there is chance of having disulfides. Then 1.9, then 2.4, then 2.0, then 2.6, then 2.2, then 1.85, then

[ccp4bb] Tenure track position in Protein Chemistry, Leiden University, NL

2014-04-22 Thread Navraj Pannu
Dear all, Leiden University, The Netherlands has a tenure track position available in its Protein Chemistry department. For details, please see the following site:

Re: [ccp4bb] Non-catalytic Rossmann fold domain

2014-04-22 Thread Avinash Punekar
Dear Jack, In this recent review paper (http://www.biomedcentral.com/1472-6807/13/6), I read about non-catalytic Rossmannn fold proteins which include mitochondrial transcription factor B (sc-mtTFB) (http://www.ncbi.nlm.nih.gov/pubmed/12897151) and a t-RNA (1-methyladenosine) MTase from

Re: [ccp4bb] Non-catalytic Rossmann fold domain

2014-04-22 Thread Mark Brooks
DprA, from the Streptococcus pneumoniae transformasome, is one, I believe: http://www.ncbi.nlm.nih.gov/m/pubmed/22904190/ On 22 Apr 2014, at 14:26, Tanner, John J. tanne...@missouri.edu wrote: Does anyone know of a protein that has a Rossmann dinucleotide binding domain that does not

Re: [ccp4bb] Trouble Refining Ligand in Phenix

2014-04-22 Thread Chris Fage
Actually, that was the issue. I manually reset the occupancies of the problematic atoms in the PDB to unity. This solved my problem. Thanks to Nat and Tom. Best, Chris On 4/21/14, tom.p...@csiro.au tom.p...@csiro.au wrote: Hello Chris, This probably isn't your problem, but I once put some

[ccp4bb] Problem with making a continuous nucleic acid chain

2014-04-22 Thread Xiaoming Ren
Dear all: I am facing a display issue in pymol. In my structure, there is a nucleic acid chain with some monomers which are modified nucleotides built in scketcher of ccp4 suite. However, When I showed the structure in pymol as cartoon, the nucleic acid chain was discontinuous where the

[ccp4bb] 2nd Australian Advanced Methods in Crystallography Workshop - New registration deadline

2014-04-22 Thread Sofia Caria
Dear all, The registration deadline to the 2nd Australian Advanced Methods in Crystallography Workshop has been extended. Registration deadline: 6th May 2014 Workshop dates: 22-25th June 2014 Website: https://events.synchrotron.org.auhttps://events.synchrotron.org.au/ Contact: