Find research datasets worth reusing
Search datasets from major research repositories and use ShareScore to quickly assess how well each record supports discovery, access, and reuse.
121
datasets available to search
ShareScore release 0.9.0
Dataset results
121 results for “crystal structure”
Synchrotron diffraction images for the 2.9 Å crystal structure of L-Selenomethionine labeled human GDAP1
<p>Dataset collected at DLS, I04 beamline 16.5.2019. L-SeMet substituted crystals collected with SAD-method.</p> <ul> <li>Flux: 1.32e+11</li> <li>Ω Start: 0.0°</li> <li>Ω Osc: 0.10°</li> <li>Ω Overlap: 0°</li> <li>No. Images: 3600</li> <li>Resolution: 2.90Å</li> <li>Wavelength: 0.9790Å</li> <li>Exposure: 0.040s</li> <li>Transmission: 100.00%</li> <li>Beam size: 63x50μm</li> <li>Type: SAD</li> <li>Comment: X,Y,Z (-561,302,301), Aperture: Large</li> </ul> <p> </p>
Insights in the structural hierarchy of statically crystallized palm oil
<p>This dataset contains all data obtained on palm oil samples and used in the publication "Insights in the structural hierarchy of statically crystallized palm oil". See paper for more information on the methods for obtaining the data.</p> <p> </p> <p>Abbreviations used:</p> <p>PO = palm oil</p> <p>PPP = tripalmitin</p> <p>I = intensity (in X-ray scattering)</p> <p>q = scattering vector (in X-ray scattering)</p> <p>SEM = Scanning Electron Microscopy</p> <p>DSC = Differential Scanning Calorimetry</p> <p>WAXS = Wide Angle X-ray Scattering</p> <p>SAXS = Small Angle X-ray Scattering</p> <p>USAXS = Ultra Small Angle X-ray Scattering</p> <p>PLM = Polarized Light Microscopy</p> <p>FC = fast cooling = 20°C/min</p> <p>SC = slow cooling = 1°C/min</p> <p>TAG = triglyceride</p> <p>FA = fatty acid</p>
Data set of article entitled: "Impact of the interfacial Dzyaloshinskii-Moriya interaction on the band structure of one-dimensional artificial magnonic crystals: A micromagnetic study"
<p>Data set of the immagies showed in figure 3 of the article entiteled "Impact of the interfacial Dzyaloshinskii-Moriya interaction on the band structure of one-dimensional artificial magnonic crystals: A micromagnetic study". All files contain the matrix of the dispersion relations of the two analysed Magnonic Crystals: the SAMPLE A and the SAMPLE B for different value of the interfacial Dzyaloshinskii-Moriya interaction (constant D). The first row is the set of values of k-vector, while the first column is the set of value of the frequencies. The other elements of the matrix are the values of the pixel related to the first row and first column. These elements are been obtanied by the Fast Fourier Transform in time and space of the micromagnetic simulations .</p>
Crystallization process of organic-inorganic methylammonium lead bromide perovskite (MAPbBr3), GIXD analysis results: diffraction features and crystal structure
<p>Analysis result of an <em>in-situ</em> measurement of the crystallization process of organic-inorganic methylammonium lead bromide perovskite (MAPbBr3) on a glass substrate.</p> <p>This dataset contains the positions, sizes, and integrated intensities of extracted diffraction peaks with 0.1s time resolution.</p> <p>For crystal structure matching, the provided CIF file (CCDC 1446529) was used.</p>
Atomic coordinates used in the solution of a TDRD2 crystal structure
<p>These coordinates were referred to as "Coordinates from [...] an unpublished TDRD2 crystal structure" in Supporting Information of our manuscript <em>Structural basis for arginine methylation-independent recognition of PIWIL1 by TDRD2</em>. This model has not been validated for any other use.</p>
Raw data for crystal structure of the flavoprotein monooxygenase TrlE from Streptomyces cyaneofuscatus Soc7, PDB ID: 8RQH
<p>X-Ray raw data for crystal structure of the flavoprotein monooxygenase TrlE from Streptomyces cyaneofuscatus Soc7 (PDB ID: 8RQH). The data have been collected at the Swiss Light Source (2022-11-20) at the X06SA beamline at a wavelength of 1.00003A.</p>
Comparison of X-ray crystal structures of a tetradecamer sequence d(CCCGGGTACCCGGG)2 at 1.7 Å resolution.
<p>We presented a comparison of three different X-ray crystal structures of DNA tetradecamer sequence d(CCCGGGTACCCGGG)2 all at about 1.7 Å resolution. The sequence was designed as an attempt to form a DNA four-way junction with A-type helical arms. However, in the presence of zinc, magnesium, and in the absence of any metal ion, it does not take up the junction structure, but forms an A-type double helix. This allowed us to study possible conformational changes in the double helix due to the presence of metal ions. Upon addition of the zinc ion, there is a change in the space group from P41212 to P41. The overall conformation of the duplex remains the same. There are small changes in the interaction of the metal ions with the DNA. In the zinc-bound structure, there are two zinc ions that show direct interaction with the N7 atoms of terminal G13 bases at either end of the molecule. There are small changes in the interhelical contacts. The consequence of these differences is to break some of the symmetry and change the space group.</p>
Crystal structure of d(CCGGGGTACCCCGG)2 at 1.4 Å resolution.
<p>The X-ray crystal structure of the DNA tetradecamer sequence d(CCGGGGTACCCCGG)<sub>2</sub> is reported at 1.4 Å resolution in the tetragonal space group P4<sub>1</sub>2<sub>1</sub>2. The sequence was designed to fold as a four-way junction. However, it forms an A-type double helix in the presence of barium chloride. The metal ion could not be identified in the electron-density map. The crystallographic asymmetric unit consists of one A-type double helix with 12 base pairs per turn, in contrast to 11 base pairs per turn for canonical A-DNA. A large number of solvent molecules have been identified in both the grooves of the duplex and around the backbone phosphate groups.</p>
Comparison of X-ray crystal structures of a tetradecamer sequence d(CCCGGGTACCCGGG)2 at 1.7 Å resolution.
<p>We presented a comparison of three different X-ray crystal structures of DNA tetradecamer sequence d(CCCGGGTACCCGGG)<sub>2 </sub>all at about 1.7 Å resolution. The sequence was designed as an attempt to form a DNA four-way junction with A-type helical arms. Crystals did not have any metal ion in the crystallization solution apart from the sodium in the buffer. However, the sequence does not take up the junction structure, but forms an A-type double helix in P4<sub>1</sub>2<sub>1</sub>2 space group.</p>
Comparison of X-ray crystal structures of a tetradecamer sequence d(CCCGGGTACCCGGG)2 at 1.7 Å resolution.
<p>We presented a comparison of three different X-ray crystal structures of DNA tetradecamer sequence d(CCCGGGTACCCGGG)<sub>2 </sub>all at about 1.7 Å resolution. The sequence was designed as an attempt to form a DNA four-way junction with A-type helical arms. However, in the presence of magnesium, it does not take up the junction structure, but forms an A-type double helix in P4<sub>1</sub>2<sub>1</sub>2 space group. This allowed us to study possible conformational changes in the double helix due to the presence of metal ions. Though the crystallization condition has magnesium chloride, it was not observed in the electron density map.</p>
Crystallization behavior and structural build-up of palm stearin - wax hybrid fat blends
<p>This dataset was used in the publication <em>"Crystallization behavior and structural build-up of palm stearin - wax hybrid fat blends"</em>. An overview of the abbreviations and the dataset can be found below.</p>
Research data supporting "Tin phosphide anodes for potassium-ion batteries: insights from crystal structure prediction"
<p>This dataset contains the output files of crystal structure prediction calculations (density-functional theory relaxations, bandstructures, phonon calculations, GIPAW-NMR calculations) on the ternary K-Sn-P phase diagram. All calculations were performed with the CASTEP DFT package (https://www.castep.org/) and the "matador" Python library (https://github.com/ml-evs/matador).</p> <p><strong>Contents:</strong></p> <ul> <li>"convergence_tests.zip": contains the results of convergence tests on the K-P system at two levels of accuracy "polish" and "searches" on the corresponding edge of the K-Sn-P ternary system</li> <li>"phonons.zip": contains CASTEP output files for phonon calculations on the predicted low-lying phases on the corresponding edge of the K-Sn-P phase diagram</li> <li>"polish.zip": contains CASTEP output files of relaxations on the corresponding edge of the K-Sn-P system at the "polish" level of accuracy using various different xc-functionals or external pressures.</li> <li>"searches.zip": contains ".res" files that provide the relaxed structure from each different crystal structure prediction method on the corresponding edge of the K-Sn-P system.</li> <li>"bulk_modulus.zip" contains CASTEP output files for calculation of E(V) curves for low-lying KP phases with different xc-functionals.</li> <li>"nmr.zip" contains CASTEP output files for GIPAW-NMR calculations of chemical shifts for low-lying K-Sn-P phases.</li> <li>"spectral.zip" contains CASTEP and OptaDOS output files for projected bandstructure and DOS calculations of low-lying K-Sn-P phases.</li> <li>"digests.zip" contains JSON representations of all the structures from polish and searches, broken down into K-P and K-Sn-P specific digests.</li> </ul>
Raw Data for the Article "Cyclopentadienone triisocyanide iron complexes: general synthesis and crystal structures of tris(2,6-dimethylphenyl isocyanide)(η4-tetraphenylcyclopentadienone)iron and tris(naphthalen-2-yl isocyanide)(η4-tetraphenylcyclopentadienone)iron acetone hemisolvate"
<p>This data set contains the raw data (NMR, HRMS, Elemental analysis) for the article "Cyclo­penta­dienone triisocyanide iron complexes: general synthesis and crystal structures of tris­­(2,6-di­methyl­phenyl isocyanide)(η<sup>4</sup>-tetra­phenyl­cyclo­penta­dienone)iron and tris­­(naphthalen-2-yl iso­cyanide)(η<sup>4</sup>-tetra­phenyl­cyclo­penta­dienone)iron acetone hemisolvate" published in <em>Acta Crystallographica Section E: Crystallographic Communications</em>, DOI:</p> <p><a href="https://doi.org/10.1107/S205698902300498X">https://doi.org/10.1107/S205698902300498X</a></p>
USP5 ZnF-UBD Co-Crystal Structure with Compound UBTR012574a
<p>Objective: To grow well-diffracting co-crystals of USP5 zinc finger ubiquitin binding domain (ZnF-UBD) to solve the co-crystal structures to determine ligand interactions in the binding pocket and to determine if the predicted binding pose is similar to the experimental binding pose.</p>
Raw diffraction images of the crystal structure of human VISTA extra cellular domain in complex with Fab fragment of pH-selective anti-VISTA antibody
<p>The diffraction datasets was collected at X10SA, SLS. The dataset was collected from one crystal using a rotation scheme for 222º oscillation with the following experimental parameters; Wavelength: 0.9998 Å, Detector: EIGER2 Si 16M (DECTRIS Co. Ltd.). The crystal belonged to space group C 1 2 1 with unit cell parameters a=207.66, b=39.51, c=177.98 Å, and beta=117.12°.</p><p>PDB ID: 8TBQ</p>
Dataset for article "W18O49 Nanowhiskers Decorating SiO2 Nanofibers: Lessons from In Situ SEM/TEM Growth to Large Scale Synthesis and Fundamental Structural Understanding" in Crystal Growth & Design, Des. 2024, 24, 1, 378–390
<p>Supported dataset for publication "W18O49 Nanowhiskers Decorating SiO2 Nanofibers: Lessons from In Situ SEM/TEM Growth to Large Scale Synthesis and Fundamental Structural Understanding" in Crystal Growth & Design Des. 2024, 24, 1, 378–390, https://doi.org/10.1021/acs.cgd.3c01094.</p> <p>The directory Data contains the figures (png, jpg), and vido (AVI) source data files for the manuscript.</p>
→ Fig. 10. FESEM images of the test structure in lagenid foraminifers from Recent, Admiralty Bay, King George Island, West Antarctica (A) and from the Jurassic of Gnaszyn, Poland (B, C). A. Unilocular Procerolagena gracilis Williamson, 1848, MWGUW ZI/67/44/02. B. Unilocular Lagena globosa Montagu, 1803, MWGUW ZI/67/61/09. C. Uniserial Nodosaria pulchra Franke, 1936, MWGUW ZI/67/61/26. Oblique cross-sectional views (A1, A2, A4, B1, B2, C); transverse cross-sectional views, showing single-crystal interlocked bundle structures, inner pores which extend along the entire length of the bundles as well as prominent calcite cleavage (A3, B3). Abbreviations: c, prominent calcite cleavage; ip, inner pore. in Chamber arrangement versus wall structure in the high-rank phylogenetic classification of Foraminifera
→ Fig. 10. FESEM images of the test structure in lagenid foraminifers from Recent, Admiralty Bay, King George Island, West Antarctica (A) and from the Jurassic of Gnaszyn, Poland (B, C). A. Unilocular Procerolagena gracilis Williamson, 1848, MWGUW ZI/67/44/02. B. Unilocular Lagena globosa Montagu, 1803, MWGUW ZI/67/61/09. C. Uniserial Nodosaria pulchra Franke, 1936, MWGUW ZI/67/61/26. Oblique cross-sectional views (A1, A2, A4, B1, B2, C); transverse cross-sectional views, showing single-crystal interlocked bundle structures, inner pores which extend along the entire length of the bundles as well as prominent calcite cleavage (A3, B3). Abbreviations: c, prominent calcite cleavage; ip, inner pore.
Raw diffraction data for CCDC 2364133 – crystal structure of 2,2'-[ethane-1,2-diylbis(sulfanediyl)]bis(2-methyl-1,4-dithiane)
<p>X-ray diffraction data from a single crystal of 2,2'-[ethane-1,2-diylbis(sulfanediyl)]bis(2-methyl-1,4-dithiane)</p>
Topological Liquid Crystal Superstructures as Structured Light Lasers
<p>Data associated with the paper titled "Topological Liquid Crystal Superstructures as Structured Light Lasers".</p>
Racemic crystal structures of A-DNA duplexes
<p>X-ray diffraction data collected for d/l-d(CCCGGG) crystals at IECB, using a microfocus rotating anode Rigaku FRX diffractometer, with Cu Kα radiation and a hybrid pixel detector (Dectris Pilatus 200K). </p> <p>PDB ID: 6GN2</p> <p>PDB Title: Racemic crystal structure of A-DNA duplex formed from d(CCCGGG) in space group R3bar </p> <p>PDB DOI: http://doi.org/10.2210/pdb6GN2/pdb</p>
ScienceDex guides
Understand access before you commit
These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.