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689 results for “crystals”
1.20 Å crystal structure of Vibrio alkaline phosphatase in 1.0 M NaCl, remote data
<p>Diffraction data collection frames and processing files for the crystal structure of <em>Vibrio</em> alkaline phosphatase in 1.0 M NaCl; XDS_ASCII.HKL is the final reduced reflection file. Data were collected with an X-ray wavelength of 0.976 Å at the P14 beamline at the DESY-PETRA III synchrotron in Hamburg, Germany. </p>
1.70 Å crystal structure of Vibrio alkaline phosphatase in complex with HEPES
<p>Diffraction data frames and processing file for the 1.70 Å crystal structure of <em>Vibrio</em> alkaline phosphatase with bound HEPES, a non-competitve inhibitor. Diffraction data were collected at the BioMAX beamline (MaxIV synchrotron, Lund, Sweden) and processed in XDS and XSCALE. "VAP-HEPESdeh.hkl" is the final processed reflections file used for phasing and refinement.</p>
Gas permeation through single-crystal ZIF-8 membranes
<p>Simulation files to accompany manuscript submission.</p>
Diffraction images for crystals in complex with various ligands
<p>Macromolecular crystallography datasets (images in cbf format), which were used for building protein models.</p> <p>CYP124_Cholestenone.tar.bz2</p> <ol> <li>PDB ID: 6T0F</li> <li>Beamline: ESRF id23eh1</li> <li>Detector: PILATUS 6M F</li> <li>Flux: 5.4e+10 ph/sec</li> <li>Energy (Wavelength): 12.000 keV (1.0332 Å)</li> <li>Oscillation: 0.15<sup>o</sup></li> <li>Total range: 540<sup>o</sup></li> <li>Transmition: 5%</li> <li>Exposure time: 0.039 s</li> <li>Detector Distance: 246.87 mm</li> <li>Resolution (corner): 1.50 Å (1.20 Å)</li> </ol> <p>CYP124_VD3.tar.bz2</p> <ol> <li>PDB ID: 6T0G</li> <li>Beamline: ESRF id30b</li> <li>Detector: PILATUS3 6M</li> <li>Flux: 9.8e+10 ph/sec</li> <li>Energy (Wavelength): 12.600 keV (0.9840 Å)</li> <li>Oscillation: 0.10<sup>o</sup></li> <li>Total range: 180<sup>o</sup></li> <li>Transmition: 19.2%</li> <li>Exposure time: 0.02 s</li> <li>Detector Distance: 158.82 mm</li> <li>Resolution (corner): 1.10 Å (0.95 Å)</li> </ol> <p>CYP124_1alphaOHVD3.tar.bz2</p> <ol> <li>PDB ID: 6T0H</li> <li>Beamline: ESRF id30b</li> <li>Detector: PILATUS3 6M</li> <li>Flux: 6.9e+10 ph/sec</li> <li>Energy (Wavelength): 12.700 keV (0.9763 Å)</li> <li>Oscillation: 0.05<sup>o</sup></li> <li>Total range: 180<sup>o</sup></li> <li>Transmition: 1.0%</li> <li>Exposure time: 0.015 s</li> <li>Detector Distance: 152.31 mm</li> <li>Resolution (corner): 1.07 Å (0.93 Å)</li> </ol> <p>CYP124_SQ109.tar.bz2</p> <ol> <li>PDB ID: 6T0J</li> <li>Beamline: ESRF id23eh1</li> <li>Detector: PILATUS 6M F</li> <li>Flux: 3.2e+10 ph/sec</li> <li>Energy (Wavelength): 12.755 keV (0.9720 Å)</li> <li>Oscillation: 0.15<sup>o</sup></li> <li>Total range: 360<sup>o</sup></li> <li>Transmition: 8.0%</li> <li>Exposure time: 0.1 s</li> <li>Detector Distance: 155.00 mm</li> <li>Resolution (corner): 1.08 Å (0.93 Å)</li> </ol> <p>CYP124_CHImi.tar.bz2</p> <ol> <li>PDB ID: 6T0K</li> <li>Beamline: ESRF id30b</li> <li>Detector: PILATUS3 6M</li> <li>Flux: 1.0e+11 ph/sec</li> <li>Energy (Wavelength): 12.677 keV (0.9780 Å)</li> <li>Oscillation: 0.05<sup>o</sup></li> <li>Total range: 180<sup>o</sup></li> <li>Transmition: 15.3%</li> <li>Exposure time: 0.02 s</li> <li>Detector Distance: 160.85 mm</li> <li>Resolution (corner): 1.10 Å (0.94 Å)</li> </ol> <p>CYP124_Cpd5'.tar.bz2 - PDB ID: 6T0L</p> <ol> <li>PDB ID: 6T0L</li> <li>Beamline: ESRF id30a1</li> <li>Detector: PILATUS3 2M</li> <li>Flux: 1.3e+12 ph/sec</li> <li>Energy (Wavelength): 12.834 keV (0.9660 Å)</li> <li>Oscillation: 0.20<sup>o</sup></li> <li>Total range: 180<sup>o</sup></li> <li>Transmition: 100%</li> <li>Exposure time: 0.1 s</li> <li>Detector Distance: 237.74 mm</li> <li>Resolution (corner): 2.02 Å (1.43 Å)</li> </ol> <ol> </ol> <p>In addition, processing files (XDS/XSCALE file format) are also included.</p> <p> </p>
Support Video of Modification of Glycerol Force Field for Simulating Diffusion-limited Silver Crystallization
<p>More support video for the paper crystals-630387</p> <p>"Modification of Glycerol Force Field for Simulating Diffusion-limited Silver Crystallization"</p> <p>SV2: The glycerol simulation run in the modified OPLS force field;</p> <p>SV3: The comparation of erythritol simulation run in the modified OPLS force field and the classic OPLS force field;</p> <p>SV4:The comparation of xylitol simulation run in the modified OPLS force field and the classic OPLS force field;</p> <p>SV5:The comparation of inositol simulation run in the modified OPLS force field and the classic OPLS force field.</p>
2.52 Å crystal X-ray diffraction dataset and processing files: mCNPase V318I mutant, tetragonal crystal form
<p>2.52 Å X-ray diffraction data set of mouse CNPase phosphodiesterase domain, mutant V318I, tetragonal crystal form. Data were collected on the ID30A-3 beamline at the Europian Synchrotron Radiation Facility (ESRF). Also includes the XDS.INP and XSCALE.INP files used for data processing in XDS and XSCALE, processing results (XSCALE.LP) and the processed reflection file (CNP_11manual.HKL).</p>
1.66 Å crystal X-ray diffraction dataset and processing files: mCNPase V318I mutant, monoclinic crystal form
<p>1.66 Å X-ray diffraction data set of mouse CNPase phosphodiesterase domain, mutant V318I, monoclinic crystal form. Data were collected on the ID30A-3 beamline at the Europian Synchrotron Radiation Facility (ESRF). Also includes the XDS.INP and XSCALE.INP files used for data processing in XDS and XSCALE, processing results (XSCALE.LP) and the processed reflection file (CNP_17manual.HKL).</p>
Which are the most frequently involved peripheral joints in calcium pyrophosphate crystal deposition at imaging? A Systematic Literature Review and meta-analysis by the OMERACT Ultrasound – CPPD subgroup
<p><strong>Objectives</strong>: To identify the prevalence of calcium pyrophosphate crystal deposition (CPPD) using ultrasound and conventional radiology at peripheral joints in patients with suspected or definite CPPD.</p> <p><strong>Methods: </strong>A systematic literature search was performed in PubMed and Embase using pre-defined search strategies from inception to April 2021 to identify studies that evaluated conventional radiology and ultrasound in detecting CPPD at peripheral joints, including definite or suspected CPPD [Research question 1 (RQ1) and Research Question 2 (RQ2), respectively]. For the meta-analysis, the first, second, and third sub-analysis included studies with the knee, and knee or wrist as the index joint for CPPD (without restrictions on the reference standard) and synovial fluid analysis or histology as a reference standard (without restrictions on the index joint), respectively.</p> <p><strong>Results: </strong>One-thousand eight hundred and twenty-seven manuscripts were identified, of which 94 articles were finally included. Twenty-two and seventy-two papers were included in RQ1 and RQ2, respectively. The knee had the highest prevalence for RQ1 and RQ2 by both conventional radiology and ultrasound, followed by the wrist with the highest prevalence for RQ1. The hand had the lowest CPPD prevalence. The third sub-analysis showed a higher CPPD prevalence on ultrasound than conventional radiology at the knee (only data available).</p> <p><strong>Conclusion: </strong>Among all peripheral joints, the knees and wrists could be regarded as the target joints for CPPD detection by imaging. Furthermore, ultrasound seems to detect a higher number of calcium pyrophosphate deposits than conventional radiology, even when using a more restrictive reference standard.</p>
Fabrication and Experimental Characterisation of Tuneable Polymer-based Photonic Crystal Sensors
<p>Holographic sensors in the Yetisen Group at Imperial College London</p>
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