[ccp4bb] Postdoc in Structure-Based Ligand Discovery, Shoichet Lab UCSF

2021-07-01 Thread Brian Shoichet
*Postdoc in Structure-Based Ligand Discovery* We are recruiting for a post-doctoral position in structure-based ligand discovery in the Shoichet lab at the University of California San Francisco (UCSF) (https://bkslab.org/) (https://bkslab.org/people/current_members). We are particularly

[ccp4bb] Postdoctoral position in Structural Biology and Function of Neurotransmitter Transport (San Francisco)

2021-07-01 Thread Robert Stroud
STRUCTURAL BIOLOGY AND FUNCTION OF NEUROTRANSMITTER TRANSPORT A post-doctoral position is available in the laboratory of Dr. Robert M. Stroud at the mission bay campus of the University of California San Francisco (UCSF). (https://msg.ucsf.edu/people/robert-stroud-ma-phd

Re: [ccp4bb] Co crystalization with less soluble ligand.

2021-07-01 Thread Steven Herron
Fatty acids are very soluble in glycerol or the PEGs. Most proteins tolerate high concentrations (30-50%) glycerol and PEGs.� So, it is quite possible to make a solution that will allow the protein crsytal and the ligand to both be in the same solution. One of my former colleagues was in

Re: [ccp4bb] Rmeas in DIALS?

2021-07-01 Thread Huw Jenkins
Hi Graeme, > On 1 Jul 2021, at 14:21, Winter, Graeme (DLSLtd,RAL,LSCI) > wrote: > > Total observations 1432839600 559 > Total unique 418512397 494 > Assuming spacegroup: P 41 21 2 > Other likely alternatives are: > P 43

Re: [ccp4bb] Rmeas in DIALS?

2021-07-01 Thread Winter, Graeme (DLSLtd,RAL,LSCI)
Hi Phil, No argument, you _can_ The question is where it came from in this context, as the outer shell is positive in the text output but somehow -ve in i2 version of the same Unless i2 recalculates merging stats? All the best Graeme On 1 Jul 2021, at 14:52, Phil Evans

Re: [ccp4bb] Rmeas in DIALS?

2021-07-01 Thread Phil Evans
You can get a negative Rmeas in a shell where is negative Sent from my iPhone > On 1 Jul 2021, at 14:21, Winter, Graeme (DLSLtd,RAL,LSCI) > wrote: > >  Thanks for sending the logs > > Looking at the output the negative R values don’t come from xia2 directly > > For

Re: [ccp4bb] Rmeas in DIALS?

2021-07-01 Thread Winter, Graeme (DLSLtd,RAL,LSCI)
Thanks for sending the logs Looking at the output the negative R values don’t come from xia2 directly For AUTOMATIC/DEFAULT/NATIVE OverallLow High High resolution limit 1.012.741.01 Low resolution limit 36.95

Re: [ccp4bb] How to process two datasets 45 degrees apart?

2021-07-01 Thread Andrew Leslie - MRC LMB
Dear Murpholino, Assuming that the two datasets are from the same crystal, and collected without moving the crystal in-between, then when processing with mosflm I recommend processing both sweeps in the same mosflm run. This is because you will get more accurate

Re: [ccp4bb] How to process two datasets 45 degrees apart?

2021-07-01 Thread Tim Gruene
Dear Murpholino, in addition to Graeme's explanation w.r.t. XDS, you probably want to also set the 'STARTING_ANGLE= 90', when you copy UNIT_CELL_A-AXIS= UNIT_CELL_B-AXIS= UNIT_CELL_C-AXIS= from XDS_ASCII.HKL of the first data set into XDS.INP of the second one. Depending on the spacegroup

[ccp4bb] PhD position (Denmark), Structural biology with a focus on metabolite uptake

2021-07-01 Thread Bjørn Panyella Pedersen
Dear colleagues, Please pass this open PhD position along to anyone who might be interested. Thanks! jobRxiv link: https://bit.ly/3Ak5Far All the best, /Bjørn STRUCTURAL AND FUNCTIONAL STUDIES of eukaryotic membrane proteins involved in metabolite transport A PhD position is available in