Re: [ccp4bb] preparing ellipsoidally truncated data for PDB deposition

Thanks Randy and Tim, I will concatenate multiple cif files and go ahead and throw in the unmerged original index reflections while I'm at it. I did use a single mtz file, but with binary Rfree flags; perhaps that makes the difference. And thanks Vincent, I will look for that box to tick next tim

[ccp4bb] SAXS workshop at BioCAT

Everything BioSAXS 4: Getting started in biological small-angle x-ray solution scattering BioCAT is offering its fourth intensive HOW-TO course in BioSAXS. Students will have a day and a half of lectures and hands-on software tutorials on

Re: [ccp4bb] Off topic: 'Difficult' Datasets for Processing Practice

Hi Matthew, I am also a bit late in responding, I have a few incommensurately modulated protein crystal datasets that you would be welcome to use in your course. It would be neat for students to at least know that this type of diffraction exists. As far as I know, they can only be processed with

[ccp4bb] Group Leader Position available at Evotec

Dear All, Evotec is expanding and is looking to recruit a Group Leader. Please do not contact me directly but liaise with the Human Resources team though our website. Best wishes, Paul.. AB GL SB Sept18 - Group Leader, Structural Biology Posted: 21/09/2018 15:08 Start Date: Not Available Sal

Re: [ccp4bb] Off topic: 'Difficult' Datasets for Processing Practice

Dear Matthew, I am also late in responding to this, but as part of a Nature Protocols paper on iMosflm (Supplementary Information for Nature Protocols 12, 1310-1325, 2017) I provided a number of examples of “problem datasets”. Some of these are just two images, to show is

[ccp4bb] Beamline Scientist position in MX at Diamond Light Source

All, a reminder about this fantastic job opportunity at Diamond Light Source. Closing date is 7/10/2018. Best regards, Ralf We are looking for a skilled and highly motivated Beamline Scientist for the macromolecular crystallography (MX) beamline I04 at Diamond Light Source. I04 is a tuneable

Re: [ccp4bb] preparing ellipsoidally truncated data for PDB deposition

Hi Jude, thank you for your effort to desposit the untouched data. I was actually wondering how to do this myself as I am getting close to the deposition stage with my anisotropic data. Thank you for sharing your concerns, it will be useful to other users. Since Randy is asking for user's ex

Re: [ccp4bb] preparing ellipsoidally truncated data for PDB deposition

Dear Kevin, you can concatenate mmCIF files, and they still remain valid, i.e. you prepare two independent mmCIF files and stich them together one after the other. Every mmCIF file starts with "data_" followed with a unique word as identifier. Extraction tools usually have a keyword for which d

Re: [ccp4bb] preparing ellipsoidally truncated data for PDB deposition

Dear Kevin, I’ve just been working through the issue myself of how to deposit both the pruned data needed to reproduce the refinement and the unmassaged data. The advice I got from the people at PDBe was to prepare an mmCIF file with two reflection loops. The validation pipeline expects the f