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60 results for “Crystallography”
Radiation Damage in Small Molecule Crystallography - Benchmark experiment
<p>Benchmark experiment performed at the UK National Crystallography Service facility in Southampton.</p>
Body temperature protein X-ray crystallography at 37°C: A rhenium protein complex seeking a physiological condition structure: Raw Diffraction Images (112 week soak) Zenodo
<p>The labratory dataset of the raw diffraction images obtained after 112 weeks of soaking in the mother liquor and collected at a wavelength of 1.54 Å, illustrating the covalent coordination of the rhenium(I) tricarbonyl fragment to the His and Asp amino acid residues as well as other similarities when comparing the 37°C data set to 100K data set as described in the publication titled "Body temperature protein X-ray crystallography at 37°C: A rhenium protein complex seeking a physiological condition structure", written by Jacobs, Helliwell & Brink,<em> ChemComm</em>, 2024.</p> <p>The raw diffraction images for the labratory data sets are made available at the Zenodo research data archive, as specified in the publication.</p>
Mixed chirality α-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography
<p>The upload contains additional primary data associated with the publication <a href="https://doi.org/10.1039/D1CB00124H">https://doi.org/10.1039/D1CB00124H</a>, including raw data in the original file format whenever possible.</p> <p>Data content: HPLC-MS, CD, Vesicle leakage, Molecular Dynamics, Crystallography (primary electron density maps) and Supporting Information.</p>
Room-temperature structure of lysozyme by fixed-target pink-beam serial synchrotron crystallography
<p>Title: Room-temperature structure of lysozyme by fixed-target pink-beam serial synchrotron crystallography</p> <p>Data: Hit images</p> <p>Depositors: Yongsam Kim and Ki Hyun Nam</p> <p>Synchrotron: Pohang Light Source II</p> <p>Beamline: 1C</p> <p>Technique: Fixed-target pink-beam serial synchrotron crystallography</p>
Room-temperature structure of glucose isomerase by fixed-target pink-beam serial synchrotron crystallography
<p>Title: Room-temperature structure of glucose isomerase by fixed-target pink-beam serial synchrotron crystallography</p> <p>Data: Hit images</p> <p>Depositors: Yongsam Kim and Ki Hyun Nam</p> <p>Synchrotron: Pohang Light Source II</p> <p>Beamline: 1C</p> <p>Technique: Fixed-target pink-beam serial synchrotron crystallography</p>
Room-temperature structure of lysozyme by pink-beam serial crystallography (50ms / center)
<p>Room-temperature structure of lysozyme by pink-beam serial crystallography (50ms / center)</p> <p>Depositors: Yongsam Kim and Ki Hyun Nam</p> <p>Experiment date: Sep 28, 2022</p> <p>Synchrotron: Pohang Light Source II</p> <p>Beamline: 1C</p>
Room-temperature structure of lysozyme by pink-beam serial crystallography (50ms / edge)
<p>Room-temperature structure of lysozyme by pink-beam serial crystallography (50ms / edge)</p> <p>Depositors: Yongsam Kim and Ki Hyun Nam</p> <p>Experiment date: Sep 28, 2022</p> <p>Synchrotron: Pohang Light Source II</p> <p>Beamline: 1C</p>
Room-temperature structure of lysozyme by pink-beam serial crystallography (100ms, center)
<p>Room-temperature structure of lysozyme by pink-beam serial crystallography (100ms, center)</p> <p>Depositors: Yongsam Kim and Ki Hyun Nam</p> <p>Experiment date: Sep 28, 2022</p> <p>Synchrotron: Pohang Light Source II</p> <p>Beamline: 1C</p>
Data from: Ontogenetic variability in crystallography and mosaicity of conodont apatite: Implications for microstructure, paleothermometry and geochemistry
Open the record for dataset details and reuse information.
Current limits on determination of protonation state using neutron macromolecular crystallography
Open the record for dataset details and reuse information.
UK National Crystallography Service benchmark experiment 1
<p>Data part of a bench-marking experiment.</p> <p>Data collected at Advanced Light Source, beamline 12.2.1</p> <p>sample: 'challenging'</p> <p>sum formula: C13 H6 F5 N</p> <p>Wavelength: 0.7288 Angstrom</p> <p>Temperature: 100K</p> <p>Data integrated with SAINT</p>
Enzymatic, LC-MS/MS, crystallography and SAXS data of AKR1B1
<p>Enzymatic, mass spectrometry, crystallography and SAXS data of AKR1B1</p>
Radiation Damage in Small Molecule Crystallography - Experiment 7
<p>Seventh data set in a series of experiments investigating the effect of radiation damage to a small molecule crystal structure.</p> <p>Sample: catena-(bis(m2-Glycyl-histidinato-N,N',O)-nickel(II) heptahydrate)</p> <p>sum formula: C16H36N8NiO13</p> <p>Wavelength: 0.9889 Angstrom</p> <p>Temperature: 60 K</p> <p>Flux: 2.63•10<sup>10 </sup>ph/s</p> <p>Calculated dose (DWD) per scan: 1.92MGy</p>
Serial crystallography dataset - PhP1
<p>Data collected on protein PhP1 with the mesh and collect method at the ESRF.</p>
Serial crystallography dataset - pb9
<p>Serial crystallography dataset on protein pb9, obtained with the mesh and collect technique.</p>
USP Zf-UBD Crystallography Pipeline Pt. 2
<p>Growth and purification of <a href="https://zenodo.org/record/1473615#.XA_jKehKjIW">protein constructs of USP Zf-UBD’s</a>, designed and cloned in previous experiments, for X-ray structure determination. </p>
On Open and Strong-Scaling Tools for Atom Probe Crystallography: High-Throughput Methods for Indexing Crystal Structure and Orientation
<p>This repository contains XML configuration files, POS and EPOS reconstructed APT datasets and RNG/RRNG range files, raw data, and synthetic dataset to follow our analysis made in the initial version of the paper <em>"On Open and Strong-Scaling Tools for Atom Probe Crystallography: High-Throughput Methods for Indexing Crystal Structure and Orientation"</em></p> <p>We are continuously working on the atom probe crystallography tools of paraprobe and their corresponding configuration and analysis wizards in paraprobe-parmsetup and paraprobe-autoreporter. Also, we are currently working on an ontology for metadata of APT post-processing workflows. Therefore, changes in the structure of the HDF5 file are expected to come up.<br> <br> Therefore, we always recommend to work with the newest code of PARAPROBE on the GitLab:</p> <p><strong>https://gitlab.mpcdf.mpg.de/mpie-aptfim-toolbox/paraprobe.git<br> https://paraprobe-toolbox.readthedocs.io/en/latest/</strong></p> <p>Therefore, the data in here serve as a reference to and documentation of the settings mainly.</p> <p><strong>This repository here contains the following pieces of information:</strong></p> <p><strong>VerifyCrystalStructures_Geo26Al.zip<br> VerifyCrystalStructures_Geo26Al3Sc.zip<br> VerifyCrystalStructures_Geo26W.zip</strong><br> Raw data and results for the assessment of the histograms and SDMs and corresponding amplitude spectra.</p> <p><strong>VerifySXIndexing.zip</strong><br> Raw data and results for the verification with synthetic single crystal datasets.</p> <p><strong>VerifyPXIndexing2_SimID.200.tar.gz<br> VerifyPXIndexing2_SimID.201.tar.gz<br> VerifyPXIndexing2_SimID.202.tar.gz</strong><br> Raw data and results for the verification with synthetic polycrystal datasets,<br> where 200 is without noise, 201 low noise, 202 high noise.</p> <p><strong>VerifyAlBicrystalZirong_ExampleROIs.tar.gz<br> VerifyAlBicrystalZirong_Library.tar.gz</strong><br> <strong>VerifyAlBicrystalZirong_Setup.tar.gz<br> VerifyAlBicrystalZirongRendering.zip</strong><br> Raw data and results for specific ROIs discussed for the aluminium bicrystal including Paraview example for rendering.</p> <p><strong>VerifyAlLiMgBaptiste_ExampleROIs.tar.gz<br> VerifyAlLiMgBaptiste_Library.tar.gz<br> VerifyAlLiMgBaptiste_Setup.tar.gz<br> VerifyAlLiMgBaptisteRendering.zip</strong><br> Raw data and results for specific ROIs discussed for the aluminium bicrystal including Paraview example for rendering.</p> <p><strong>AlBicrystalAdaptiveROIGrid.tar.gz<br> AlLiMgAgAdaptiveROIGrid.tar.gz</strong><br> Raw data and results for the tutorial with adaptive refinement of the ROI grid, as it is detailed in the Jupyter notebook tutorials on the GitLab repository.</p> <p> </p>
Massive Compression for High Data Rate Macromolecular Crystallography: Impact on Diffraction Data and Subsequent Structural Analysis
<p>This is a dataset containing raw "uncompressed" diffraction data from test sample.</p> <p>Data are collected on a lysozyme sample at 7.5 keV for a S-SAD experiment at the AMX beamline using an EIGEr 9M detector.</p> <p>The compression used, to generate the cbf files can be derived from the filenames: </p> <p>BINx: pixel binning by a factor x</p> <p>SUMx: frame summing by a factor x </p> <p>J2Kx: JPEG2000 compression used with a factor of x</p> <p>HCOMPx: Hcompress used with a scale factor x </p> <p>For example: lyso_BIN2_SUM2_HCOMP4 was compressed using 2x pixel binning + 2x frame summing + Hcompress with scale of 4. </p> <p>More information will be included after publication, in the meantime, please contact author if details about processing are required.</p> <p>All zstd tar directories contain the cbf files, ready to be processed. </p> <p>All data were collected at the AMX beamline at the NSLS-II using a DECTRIS EIGER X 9 M detector. </p> <p> </p> <p>See more details from the related work (xds.inpo files included) </p>
Room-temperature structure of lysozyme by pink-beam serial crystallography (100ms / edge)
<p>Room-temperature structure of lysozyme by pink-beam serial crystallography (100ms / edge)</p> <p>Depositors: Yongsam Kim and Ki Hyun Nam</p> <p>Experiment date: Sep 28, 2022</p> <p>Synchrotron: Pohang Light Source II</p> <p>Beamline: 1C</p>
Massive Compression for High Data Rate Macromolecular Crystallography: Impact on Diffraction Data and Subsequent Structural Analysis
<p>This is a dataset containing raw "uncompressed" diffraction data from test sample.</p> <p>Data are collected on a lysozyme sample at 7.5 keV for a S-SAD experiment at the AMX beamline using an EIGEr 9M detector.</p> <p>The compression used, to generate the cbf files can be derived from the filenames: </p> <p>BINx: pixel binning by a factor x</p> <p>SUMx: frame summing by a factor x </p> <p>J2Kx: JPEG2000 compression used with a factor of x</p> <p>HCOMx: Hcompress used with a scale factor x </p> <p>For example: lyso_BIN2_SUM2_HCOMP4 was compressed using 2x pixel binning + 2x frame summing + Hcompress with scale of 4. </p> <p>More information will be included after publication, in the meantime, please contact author if details about processing are required.</p> <p>All zstd tar directories contain the cbf files, ready to be processed. </p> <p>All data were collected at the AMX beamline at the NSLS-II using a DECTRIS EIGER X 9 M detector. </p>
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Allen Brain Atlas
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DANDI Archive for NWB datasets
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International Brain Laboratory public data
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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.