[ccp4bb] refmac5, SIGF/SIGIMEAN labels

Hi all, we noticed a strange behaviour of refmac5.7.0029 that comes with CCP4-6.3. We run a most basic script: 5 rounds of restrained refinement with all default parameters. The input mtz file contains besides H/K/L and FreeR_flag, IMEAN/SIGIMEAN, and F/SIGF. Refmac 5.6.0117 outputs F/SIGF, whil

Re: [ccp4bb] modeling thioester bond

Hi Sebastiano, In this case, having your own dictionary for both residues together will be useful. Same dictionary will be used in refmac refinement too, if you need precise refined positions. It will be easier, if you do the editing in text file. Get the CIF files for Cys-X together, re

[ccp4bb] ADP binds to the protein in solution but not show up in the structure

Dear CCP4ers, We have crystallized a kinase without adding any nuceotide, and the structure does not show any eletron density at the ATP binding site. Yet most of the bacterial-purified proteins of this family and also the structures contains ADP . So we boiled the bacterial-purified protei

[ccp4bb] Regarding your experience with spectrolight 600 from Molecular Dimensions

Hi Friends, Just checking to see whether any of you have experience with Molecular Dimensions SpectroLight 600 Droplet DLS UV/White light imager or similar systems. Thank you very much, Mathews

[ccp4bb] Beamline scientist position at SLS

Beamline Scientist Protein Crystallography Beamlines at SLS Your tasks As a beamline scientist, you will join a team effort to operate, maintain, and develop protein crystallography beamlines at the SLS. The Macromolecular Crystallography Group is currently focused on micro-focusing beamline upgr

[ccp4bb] Post-doc position - Biophysics and RNA virus proteins

Post-doc in Peersen Laboratory Biochemistry & Molecular Biology Colorado State University Post-doctoral fellow position in structural biology and biophysical studies of RNA virus replication. The projects are focused on the structures of viral RNA-dependent RNA polymerases, functional complexes

[ccp4bb] Membrane Protein Crystallographer Position at Evotec

Senior Scientist Membrane Protein Crystallographer within our Structural Biology Department Salary: £26,000 - £39,000 + benefits Location: Oxfordshire, UK Full time; Permanent Must be eligible to work in UK Evotec (UK) Ltd is currently seeking a Membrane Protein Crystallo

Re: [ccp4bb] modeling thioester bond

Thanks Manish. With the help of Paul and using JLigand, which is nicely connected to coot in version 0.7-pre1, I managed to create the bond and have the correct library CIF file. Still, I can't manage to "regularize" the bond and residues close to it. It looks like I have to go through refcmac

[ccp4bb] Supplier of iodinated DNA?

Dear all, Can anybody recommend a supplier of DNA oligonucleotides containing 5-iododeoxyuridine (5-I-dU), preferably somewhere within Europe? Many thanks, Rob The Institute of Cancer Research: Royal Cancer Hospital, a charitable Company Limited by Guarantee, Registered in England under Compan

[ccp4bb] Postdoctoral Research Scientist in Oxford

Postdoctoral Research Scientist The Wellcome Trust Centre for Human Genetics, Division of Structural Biology, Roosevelt Drive, Oxford, OX3 7BN, UK Grade 7: £29,249- £35,938p.a., with a discretionary range to £39,257p.a. A postdoctoral position is available starting in October 2012 in the laborato

[ccp4bb] Vacancy for Software Engineer: BioSAXS and MX automation

Dear All, Please see below details of a Software Engineer post available within the scientific software team at Diamond. It's not particularly obvious from the advertisement that the role will be to work with existing staff and collaborators to enhance and extend our existing fully automatic