Nicholas K. Sauter
A5072228481- Enzyme Structure and Function
- Advanced X-ray Imaging Techniques
- Advanced Electron Microscopy Techniques and Applications
- Protein Structure and Dynamics
- Photosynthetic Processes and Mechanisms
- X-ray Diffraction in Crystallography
- Spectroscopy and Quantum Chemical Studies
- X-ray Spectroscopy and Fluorescence Analysis
- Crystallization and Solubility Studies
- Metal-Catalyzed Oxygenation Mechanisms
- Biochemical and Molecular Research
- Scientific Computing and Data Management
- Advanced NMR Techniques and Applications
- Crystallography and Radiation Phenomena
- Insect and Pesticide Research
- Photoreceptor and optogenetics research
- Machine Learning in Materials Science
- Distributed and Parallel Computing Systems
- Insect Resistance and Genetics
- Porphyrin Metabolism and Disorders
- Particle Accelerators and Free-Electron Lasers
- Astronomy and Astrophysical Research
- Electron and X-Ray Spectroscopy Techniques
- Computational Drug Discovery Methods
- RNA and protein synthesis mechanisms
Lawrence Berkeley National Laboratory
2016-2025
Elucid Bioimaging
2020-2022
Brookhaven National Laboratory
2020
Mount Sinai Hospital
2020
Stony Brook University
2020
SPring-8
2011-2019
High Energy Accelerator Research Organization
2019
Linac Coherent Light Source
2019
SLAC National Accelerator Laboratory
2019
University of Hyogo
2019
Structural genomics seeks to expand rapidly the number of protein structures in order extract maximum amount information from genomic sequence databases. The advent several large-scale projects worldwide leads many new challenges field crystallographic macromolecular structure determination. A novel software package called PHENIX (Python-based Hierarchical ENvironment for Integrated Xtallography) is therefore being developed. This will provide necessary algorithms proceed reduced intensity...
The Blu-Ice and Distributed Control System (DCS) software packages were developed to provide unified control over the disparate hardware resources available at a macromolecular crystallography beamline. is user interface that provides scientific experimenters beamline support staff with intuitive graphical tools for collecting diffraction data configuring beamlines experiments. communicates via DCS, an instrument-control data-acquisition package designed integrate in highly heterogeneous...
The DIALS project is a collaboration between Diamond Light Source, Lawrence Berkeley National Laboratory and CCP4 to develop new software suite for the analysis of crystallographic X-ray diffraction data, initially encompassing spot finding, indexing, refinement integration. design, core algorithms structure are introduced, alongside results from data biological chemical crystallography experiments.
Intense femtosecond x-ray pulses produced at the Linac Coherent Light Source (LCLS) were used for simultaneous diffraction (XRD) and emission spectroscopy (XES) of microcrystals photosystem II (PS II) room temperature. This method probes overall protein structure electronic Mn4CaO5 cluster in oxygen-evolving complex PS II. XRD data are presented from both dark state (S1) first illuminated (S2) Our XRD-XES study shows that crystals intact during our measurements LCLS, not only with respect to...
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTHemagglutinins from two influenza virus variants bind to sialic acid derivatives with millimolar dissociation constants: a 500-MHz proton nuclear magnetic resonance studyNicholas K. Sauter, Mark D. Bednarski, Beth A. Wurzburg, John E. Hanson, George M. Whitesides, J. Skehel, and Don C. WileyCite this: Biochemistry 1989, 28, 21, 8388–8396Publication Date (Print):October 17, 1989Publication History Published online1 May 2002Published inissue 17...
In oxygenic photosynthesis, light-driven oxidation of water to molecular oxygen is carried out by the oxygen-evolving complex (OEC) in photosystem II (PS II). Recently, we reported room-temperature structures PS four (semi)stable S-states, S
Determining the interconverting conformations of dynamic proteins in atomic detail is a major challenge for structural biology. Conformational heterogeneity active site enzyme cyclophilin A (CypA) has been previously linked to its catalytic function, but extent which different these residues are correlated unclear. Here we compare conformational ensembles CypA by multitemperature synchrotron crystallography and fixed-target X-ray free-electron laser (XFEL) crystallography. The...
Rapid data collection and modern computing resources provide the opportunity to revisit task of optimizing model diffraction geometry prior integration. A comprehensive description is given new software that builds upon established methods by performing a single global refinement procedure, utilizing smoothly varying crystal lattice where appropriate. This technique extends multiple sets, providing useful constraints handle problem correlated parameters, particularly for small wedges data....
Abstract Light-driven oxidation of water to molecular oxygen is catalyzed by the oxygen-evolving complex (OEC) in Photosystem II (PS II). This multi-electron, multi-proton catalysis requires transport two molecules and four protons from OEC. A high-resolution 1.89 Å structure obtained averaging all S states refining data various time points during 2 3 transition has provided better visualization potential pathways for substrate insertion proton release. Our results indicate that O1 channel...
Abstract In natural photosynthesis, the light-driven splitting of water into electrons, protons and molecular oxygen forms first step solar-to-chemical energy conversion process. The reaction takes place in photosystem II, where Mn 4 CaO 5 cluster stores four oxidizing equivalents, S 0 to intermediate states Kok cycle, sequentially generated by photochemical charge separations center then catalyzes O–O bond formation chemistry 1–3 . Here, we report room temperature snapshots serial...
Abstract Inorganic–organic hybrid materials represent a large share of newly reported structures, owing to their simple synthetic routes and customizable properties 1 . This proliferation has led characterization bottleneck: many are obligate microcrystals with low symmetry severe radiation sensitivity, interfering the standard techniques single-crystal X-ray diffraction 2,3 electron microdiffraction 4–11 Here we demonstrate small-molecule serial femtosecond crystallography (smSFX) for...
A new software system called PHENIX (Python-based Hierarchical ENvironment for Integrated Xtallography) is being developed the automation of crystallographic structure solution.This will provide necessary algorithms to proceed from reduced intensity data a refined molecular model, and facilitate solution both novice expert crystallographer.Here we review features briefly describe recent advances in infrastructure algorithms.
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTBinding of influenza virus hemagglutinin to analogs its cell-surface receptor, sialic acid: analysis by proton nuclear magnetic resonance spectroscopy and x-ray crystallographyNicholas K. Sauter, John E. Hanson, Gary D. Glick, Jerry H. Brown, Robert L. Crowther, Seong Joon Park, J. Skehel, Don C. WileyCite this: Biochemistry 1992, 31, 40, 9609–9621Publication Date (Print):October 13, 1992Publication History Published online1 May 2002Published...
The advent of structural genomics initiatives has led to a pressing need for high-throughput macromolecular structure determination. To accomplish this, new methods and inevitably software must be developed accelerate the process solution. minimize duplication effort generate maintainable code efficiently, toolbox basic crystallographic components is required. development Computational Crystallography Toolbox ( cctbx ) been undertaken this purpose. In paper, fundamental requirements are...
An electrospun liquid microjet has been developed that delivers protein microcrystal suspensions at flow rates of 0.14–3.1 µl min −1 to perform serial femtosecond crystallography (SFX) studies with X-ray lasers. Thermolysin microcrystals flowed 0.17 and diffracted beyond 4 Å resolution, producing 14 000 indexable diffraction patterns, or four per second, from 140 µg protein. Nanoflow electrospinning extends SFX biological samples necessitate minimal sample consumption.
Most of the dioxygen on earth is generated by oxidation water photosystem II (PS II) using light from sun. This light-driven, four-photon reaction catalyzed Mn 4 CaO 5 cluster located at lumenal side PS II. Various X-ray studies have been carried out cryogenic temperatures to understand intermediate steps involved in mechanism. However, necessity for collecting data room temperature, especially studying transient during O–O bond formation, requires development new methodologies. In this...
Significance The extremely short and bright X-ray pulses produced by free-electron lasers unlock new opportunities in crystallography-based structural biology research. Efficient methods to deliver crystalline material are necessary due damage or destruction of the crystal pulse. Crystals for first experiments were 5 µm smaller size, delivered a liquid injector. We describe highly automated goniometer-based approach, compatible with crystals larger varied sizes, accessible at cryogenic...