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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Advances in long-wavelength native phasing at X-ray free-electron lasers
Diffraction images of the A2A data set at 4.57 keV
Advances in long-wavelength native phasing at X-ray free-electron lasers
Diffraction images of the thaumatin data set at 4.57 keV.
Advances in long-wavelength native phasing at X-ray free-electron lasers
Diffraction images of the thaumatin data set at 6.06 keV.
CysLT1R receptor complex with Zafirlukast (P21 space group) structure (SFX@LCLS)
This dataset has overall quality of 3.4 Å (CC*=0.5), P21 space group and cell parameters 43.86, 159.43, 73.48, 90.0, 95.1, 90.0. The dataset has not any PDB record associated with it. Data processing scripts are described in detail [here](https://gist.github.com/marinegor/96102c9b7ce87509a0832649d11ba927).
Membrane protein megahertz crystallography at the European XFEL
Explore the source record for details and available documents.
Structure of the dopamine D2 receptor in complex with the antipsychotic drug spiperone
Please check the README file for more information about the dataset.
High-Brightness Self-seeded X-ray Free Electron Laser to Precisely Map Macromolecular Structure
Two datasets were uploaded. Run numbers #r0101~#r0112 were collected from self-seeded XFEL mode. Run numbers #r0079~#r0088 and #r0090 were collected from SASE mode. The run number is shown in the file name as "ue_191027_SFX_runnumber-c00.cxi.". To understand the effect of self-seeded XFEL source, we used the datasets from run numbers #r0102 to #r0112. Datasets used were randomly chosen. - SS1 is from #r0102~#r0112. - SS2 is from #r0102~#r0105 and #r0109. - SS3 is from #r0104 and #r0105. To compare self-seeded mode and SASE mode, we also used corresponding three SASE datasets labeled as SASE1, SASE2, and SASE3 from run numbers #r0079 to #r0089. Datasets used were randomly chosen. - SASE1 is from #r0079~#r0089. - SASE2 is from #r0080, #r0081, #r0085, #r0087. - SASE3 is composed of #r0079, #r0080.
Short-Lived Intermediate in the N2O Generation by P450 NO Reductase Captured by Time-Resolved IR Spectroscopy and XFEL Crystallography
Diffraction images were collected using an MX300-HS CCD detector. For each cryoloop, 2D raster scan with 50 μm step in each direction was performed twice. In the second pass, the raster-scan grid was shifted 25 μm in each direction. In cheetah directory, - {puck_name}/{pin_id}_hits.h5 correspond to the first scan, and - {puck_name}/{pin_id}-2_hits.h5 correspond to the second scan.
Heavy Atom Detergent/Lipid Combined X-ray Crystallography for Elucidating the Structure-Function Relationships of Membrane Proteins
Please check the README file for more information about the dataset.
Crystal structure of CmABCB1 multi-drug exporter in lipidic mesophase revealed by LCP-SFX
Please check the README file for more information about the dataset.
Crystal structure of CmABCB1 multi-drug exporter in lipidic mesophase revealed by LCP-SFX
Please check the README file for more information about the dataset.
Conformational alterations in unidirectional ion transport of a light-driven chloride pump revealed using X-ray free electron lasers
Please check the README file for more information about the dataset.
Mapping Protein Dynamics at High-Resolution with Temperature-Jump X-ray Crystallography
Time-resolved temperature-jump using HEWL; please check the README file for more information about the datasets.
Crystal Diffraction Prediction and Partiality estimation using Gaussian basis functions
A small dataset with good data quality, useful as a benchmark. There exists a two-fold indexing ambiguity, so when processing with CrystFEL you will need to do: ambigator -o disambiguated.stream -y m-3 -w m-3m -j 72 ambiguous.stream Please check the README file for more information about the dataset. ----- Begin unit cell ----- CrystFEL unit cell file version 1.0 lattice_type = cubic centering = I a = 103.40 A b = 103.40 A c = 103.40 A al = 90.00 deg be = 90.00 deg ga = 90.00 deg ; Please note: this is the target unit cell. ; The actual unit cells produced by indexing depend on many other factors. ----- End unit cell -----
Structural evidence for intermediates during O2 formation in Photosystem II
Please consult the README file for more information about the raw data deposited and instructions.
Microcrystallography of the Self-Assembling Silver (I) n-Alkanethiolates
Please check the README file for more information about the dataset.