Re: [ccp4bb] number of frames to get a full dataset?

2020-06-23 Thread Peat, Tom (Manufacturing, Parkville)
I have no disagreement that anomalous is helpful and very useful data to have. So I’m in agreement with you and Bernhard without any reservations whatsoever. It just so happens that 360 degrees of data in the P1 spacegroup does not give you very good anomalous signal. In my limited experience, on

Re: [ccp4bb] number of frames to get a full dataset?

2020-06-23 Thread 00000c2488af9525-dmarc-request
Well, it can still help. I used to be a great fan of inverse-beam expts! Oh, and some of us prefer the word 'multiplicity' ;-0Jon CooperOn 23 Jun 2020 22:04, "Peat, Tom (Manufacturing, Parkville)" wrote: I would just like to point out that for those of us who have worked too many times with P1

Re: [ccp4bb] number of frames to get a full dataset?

2020-06-23 Thread Bernhard Rupp
Tom makes a good point. The minimum RS coverage necessary to obtain a unique data set is just a simple calculation that involves no experimental reality. To judge the expected usefulness of the data, you need to have some idea about the possible errors, random and systematic. Random is eas

Re: [ccp4bb] number of frames to get a full dataset?

2020-06-23 Thread Peat, Tom (Manufacturing, Parkville)
I would just like to point out that for those of us who have worked too many times with P1 or P21 that even 360 degrees will not give you 'super' anomalous differences. I'm not a minimalist when it comes to data- redundancy is a good thing to have. cheers, tom Tom Peat Proteins Group Biomedical

[ccp4bb] Reminder: Scientific Data Curation positions at PDBe and EMDB/EMPIAR

2020-06-23 Thread John Berrisford
Dear Colleagues There are two curator positions available in the PDBe and EMDB/EMPIAR teams at the European Bioinformatics Institute (EBI) on the Wellcome Genome Campus near Cambridge. We are looking to recruit an expert structural biologist to join the PDBe curation team. The work involves

Re: [ccp4bb] Phenix: No reference model matches

2020-06-23 Thread Oleg Sobolev
Dear Clemens, If the working model and reference model are exactly identical, you may try to use the same file in both the working and reference model to see if it works. I don't see anything strange in the pdb lines you attached. I'm happy to have a closer look if you are willing to share (off-li

Re: [ccp4bb] number of frames to get a full dataset?

2020-06-23 Thread Bernhard Rupp
1/48th of reciprocal space is the minimum in certain SGs.. Table 6.6 in BMC or http://www.ruppweb.org/new_comp/spacegroup_decoder.htm Best, BR From: CCP4 bulletin board On Behalf Of 0c2488af9525-dmarc-requ...@jiscmail.ac.uk Sent: Tuesday, June 23, 2020 08:11 To: CCP4BB@JISCMAI

Re: [ccp4bb] number of frames to get a full dataset?

2020-06-23 Thread 00000c2488af9525-dmarc-request
Someone told me there is a cubic space group where you can get away with something like 11 degrees of data. It would be interesting if that's correct. These minimum ranges for data collection rely on the crystal being pre-oriented, which is unheard-of these days, although they can help if someone i

[ccp4bb] PhD Position in serial crystallography and drug design, the European Synchrotron Radiation Facility, Grenoble, France

2020-06-23 Thread Max Nanao
Hi All, We have an exciting opportunity for a PhD project on drug design and serial crystallography at the ESRF. The project will be in collaboration with the Servier Institute. More details can be found on the ESRF website (https://esrf.gestmax.eu/1432/1/phd-student-id23-2/en_US), or below

[ccp4bb] Phenix: No reference model matches

2020-06-23 Thread Clemens Grimm
Dear All, I am not getting any reference model matches in Phenix: Reference Model Matching Summary: reference file: reference.pdb Model: Reference: Total # of matched residue pairs: 0 Total # of reference model restraints: