The CCP4 Study Weekend starts today! Take a look at our most recent virtual issue collecting articles based on presentations at the meeting: tinyurl.com/5n79tuyu

"When generating structures from crystallographic data, one should ignore whatever inferences may have been drawn about them using noncrystallographic techniques if possible" #PhotosystemII #LowOxidationParadigm #HighOxidationParadigm https://t.co/VOYEqAgl7D

The 1.3 Å resolution crystal structure of the N-terminally truncated type IV pilin from Pseudomonas aeruginosa strain P1 is the first to be reported from this group @yorkuniversity @IUCr #TypeIVPilins #PseudomonasAeruginosa #AIGeneratedModels https://doi.org/10.1107/S205979832401132X

A new program, MetalCoord, is described that classifies and utilizes the metal-coordination geometry and has been used to update metal-containing components from the CCP4 monomer library #Refinement #Restraints #MetalCoordinationGeometry https://t.co/GEAMKSEpTc

Atomic structures of biological molecules have never been so available and ubiquitous, but this raises questions as to how they are made appropriately accessible for optimal use https://t.co/RTx2WLxR0W

Our final issue of 2024 is out: https://tinyurl.com/4efts8bb

The cover shows the refinement of the coordination of a magesium cation in a cryoEM structure of chlorophyll using metal-coordination restraints extracted from the Crystallography Open Database https://tinyurl.com/3w8zrdmf

The behavior of a number of iterative projection algorithms for crystallographic phase retrieval is investigated #AbInitioPhaseDetermination #CrystallographicImaging #IterativeProjectionAlgorithms https://doi.org/10.1107/S2059798324009902

The structure, stability and substrate preference of a thermophilic bioplastic-degrading enzyme were determined, with implications for bioplastic degradation in waste management #SerineHydrolases #BioplasticDegradation #ThermalStability https://doi.org/10.1107/S2059798324009707

EMhub is a web platform designed to support the daily operations and record-keeping of a scientific facility; it was initially developed to meet the needs of the Swedish National CryoEM Facility #DataManagement #WebApplication #ScientificFacilities https://doi.org/10.1107/S2059798324009471

How many of the PDB models that were solved using experimental phasing could have been solved by molecular replacement using models obtained from AlphaFold? #MolecularReplacement #AlphaFold2 #ComputationalMethods https://t.co/s6EahtcYms

Introducing the new Co-editors: Dr Melanie Vollmar is currently an ARISE/Marie Curie/EMBL-EBI Fellow based at Hinxton in the UK. She is a structural biologist who has complemented her expertise with developing machine-learning and AI applications. Her current work uses AI to annotate PDB entries with knowledge extracted from the scientific literature.

Introducing the new Co-editors: Dr Dean Myles is a member of the Distinguished Research Staff at Oak Ridge National Laboratory in Oak Ridge, Tennessee. His expertise is in neutron and X-ray diffraction of crystals of biological macromolecules, with an emphasis on technology development.

We'd like to welcome two new Co-Editors to the @ActaCrystD team: Dr Dean Myles and Dr Melanie Vollmar. We look forward to working with them! https://t.co/xYipZTkMJ2

Our November issue is out! https://tinyurl.com/yzks2xdm
The cover highlights an article investigating the use of molecular-replacement models from the recent Nobel Prize- winning AlphaFold to solve structures that were originally solved using SAD phasing https://tinyurl.com/55dyd289

Three deep-learning tools, referred to collectively as CHiMP, were created for analysis of micrographs of protein crystallization experiments at the DLS synchrotron, UK. #Crystallization #ImageClassification #ObjectDetection https://doi.org/10.1107/S2059798324009276

Structures of a β-glucosidase from the thermophilic bacterium C. saccharolyticus and its complex with glucose, the product of its catalytic action using lactose as a substrate, were determined #Biocatalysis #Glucosidases #Thermophiles https://doi.org/10.1107/S2059798324008519

A method is presented to robustly exclude erroneous reflection measurements arising from beamstop shadows in crystallographic diffraction experiments #XRayCrystallography #AUSPEX #Outliers https://doi.org/10.1107/S2059798324008519

The advantages are explored of collecting X-ray anomalous data to identify chemical elements, such as metal ions, which are key to understanding certain structures and functions of proteins #Crystallography #AnomalousScattering #ElementIdentification https://doi.org/10.1107/S2059798324008659

Our October issue is out! https://tinyurl.com/mvh9swf3
The cover shows the catalytic site of β-glucosidase from the thermophilic bacterium Caldicellulosiruptor saccharolyticus and an additional adjacent cavity that was detected by DeepSite. Find out more at https://tinyurl.com/2vf4c588

The role of post-translational modifications in influencing protein structure and function, and the frequency and representation of these modifications in the PDB, are examined #PostTranslationalModifications #ProteinDataBank #Glycosylation t.co/iocwcaTdCy