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10 results for “cubic insulin”
Diffraction data from cubic insulin at room temperature
<p>X-ray diffraction data from bovine insulin (space group I 21 3) collected at the Cornell High Energy Synchrotron Source (CHESS) beamline F1.</p> <p>The dataset is intended for a diffuse scattering data reduction tutorial at the <a href="https://crystalerice.org/2022/">2022 Erice International School of Crystallography</a>. The tutorial is available on GitHub: <a href="https://github.com/ando-lab/erice-2022-data-reduction">github.com/ando-lab/erice-2022-data-reduction</a></p> <p>The dataset includes:</p> <ul> <li>Diffraction images (500 frames, 0.1 degree per frame)</li> <li>Background images (50 frames, 1 degree per frame)</li> <li>Metrology files (x and y corrections)</li> </ul>
Cows, Pigs and People: Example data of cubic insulin from three different species recorded on Diamond Light Source I24
<p>Data collected at 100K on 10th May 2024 at I24 (Diamond Light Source) to investigate automatic grouping of datasets containing very subtle differences. Crystals grown by Cicely Tam following standard techniques with coordination from Felicity Bertram. For each of bovine, porcine, and human insulin, 10 degree wedges are included. Insulin from these three sources differ by 1-3 amino acids, but are otherwise structurally isomorphous. </p> <p>The purpose of the data upload is to make data available for tutorials using the DIALS toolchain (see e.g. examples at https://github.com/graeme-winter/dials_tutorials) however data are available for all purposes without limitation. </p> <p>Key:</p> <p>CIX - bovine insulin</p> <p>PIX - porcine insulin</p> <p>X - human insulin</p>
Short wavelength/ high energy (14.2 keV) Cubic Insulin helical dataset, beamline ID23-EH2 ESRF
<p>Short wavelength/ high energy (14.2 keV) Cubic Insulin helical dataset, beamline ID23-EH2 ESRF. CBF images from a Pilatus3 2M detector at 100K</p>
1440° (4 turn) data set from cubic insulin, with slight radiation damage
<p>X-ray diffraction data set recorded on beamline i03 at Diamond Light Source, as part of a training workshop. Data were collected from a cubic insulin crystal prepared following standard methods with an Eiger 2XE 16M detector at 250Hz.</p> <p> </p> <p>Data Collection Parameters</p> <table> <tbody> <tr> <td>Wavelength</td> <td>1.2399Å</td> </tr> <tr> <td>Oscillation angle</td> <td>0.1°</td> </tr> <tr> <td>Nominal resolution (inscribed circle)</td> <td>1.5</td> </tr> <tr> <td>Total rotation</td> <td>1440°</td> </tr> <tr> <td>Nominal flux</td> <td>5e11 ph/s</td> </tr> <tr> <td>Beam size</td> <td>80x20µm</td> </tr> </tbody> </table> <p> </p> <p>Merging stats from xia2 / DIALS automated online processing</p> <pre>For mx30951v8/xins162/SAD Overall Low High High resolution limit 1.32 3.58 1.32 Low resolution limit 54.95 55.00 1.34 Completeness 98.7 100.0 83.3 Multiplicity 132.9 152.8 33.7 I/sigma 41.7 200.6 0.4 Rmerge(I) 0.072 0.044 4.027 Rmerge(I+/-) 0.071 0.043 3.977 Rmeas(I) 0.072 0.044 4.088 Rmeas(I+/-) 0.071 0.044 4.094 Rpim(I) 0.006 0.004 0.675 Rpim(I+/-) 0.008 0.005 0.940 CC half 1.000 1.000 0.360 Wilson B factor 19.890 Anomalous completeness 98.4 100.0 79.3 Anomalous multiplicity 69.1 84.3 17.7 Anomalous correlation 0.760 0.646 -0.050 Anomalous slope 0.613 dF/F 0.026 dI/s(dI) 1.013 Total observations 2426172 151841 26018 Total unique 18257 994 772 Assuming spacegroup: I 2 3 Unit cell (with estimated std devs): 77.71580(7) 77.71580(7) 77.71580(7) 90.0 90.0 90.0 </pre> <p> </p> <p>Data are made available for any purpose including methods developers trying to optimize their software for higher multiplicity data sets. </p>
Multi-crystal cubic insulin example data set recorded on i24
<p>Data collected as part of routine commissioning on Diamond Light Source beamline i24 15th August 2022 with samples prepared by Felicity Bertram at Diamond following standard techniques. Data are individually incomplete but combined make for a reasonably complete and reasonable data set. </p> <p> </p> <p>Purpose of the data upload is to make data available for tutorials using the DIALS toolchain (see e.g. examples at https://github.com/graeme-winter/dials_tutorials) however data are available for all purposes without limitation. </p>
Slightly widely sliced cubic insulin data sets for Diamond / CCP4 workshop tutorials
<p>A 450 x 0.2° image data set from a cubic insulin crystal recorded at Diamond Light Source beamline i03 for the 2022 CCP4 workshop. This is to accompany tutorials so that students can download data and work through tutorials at home</p> <p> </p> <p>Tutorial home space is https://github.com/graeme-winter/dials_tutorials</p> <p> </p>
45° dataset from cubic insulin recorded at the I23 beamline of Diamond Light Source
<p>450 miniCBF X-ray diffraction images from a 45° rotation scan of a cubic insulin crystal recorded at the I23 beamline of Diamond Light Source as part of commissioning tests.</p> <p>This dataset is provided as a small, but complete, diffraction dataset from I23, which has the unique DECTRIS P12M detector. A simple script for processing the data using DIALS 3.10 is as follows:</p> <pre><code class="language-bash">dials.import first450/data_1_*.cbf\ fast_slow_beam_centre=1080,57,12 dials.find_spots imported.expt d_max=75 dials.index imported.expt strong.refl dials.refine indexed.{expt,refl} dials.integrate refined.{expt,refl} dials.symmetry integrated.{expt,refl} dials.scale symmetrized.{expt,refl} </code></pre> <p>The initial beam centre read from the image headers is not correct, so the corrected value is enforced on input in the above script.</p>
X-Ray Diffraction Data Cubic Insulin and Thaumatin SSX for RIP phasing
<p>Diffraction images collected on dectris Pilatus. Format of images in *.cbf.</p> <p>Images collected with Mesh and Collect strategy at ESRF.</p> <p>Thaumatin : contain 6 sets of exposure reflecting 6 increasing Dose (from 1 to 6)</p> <p>Cubic Insulin : contain 3 sets of sub-data sets : Before_1 and Before_2 (means before UV irradiation). and After : (after UV irradiation).</p> <p>For full information refer to material and method in : (<em>submit, will be update</em>)</p>
Cubic insulin data set collected from multiple lattices on i03 at Diamond Light Source
<p>Dataset collected as part of routine commissioning work, found to have more than one crystal present at the point where data were collected, allowing multiple lattices to be processed. </p> <p> </p> <p>While three lattices are present one is substantially weaker than the other two.</p> <p> </p> <p>Uploading to enable methods development and also to use for tutorials on how to use dials software.</p> <p> </p> <p>Processing data with the usual dials scripts (which will point to this deposition) result in statistics shown below. Tutorial to be uploaded to https://github.com/graeme-winter/dials_tutorials when available.</p> <p> </p> <p><code> -------------Summary of merging statistics-------------- </code></p> <p><code> Suggested Low High Overall</code><br><code>High resolution limit 1.51 4.10 1.51 1.48</code><br><code>Low resolution limit 54.89 54.93 1.54 54.89</code><br><code>Completeness 98.9 100.0 83.7 95.3</code><br><code>Multiplicity 54.7 78.1 4.6 53.5</code><br><code>I/sigma 18.9 89.2 0.3 18.4</code><br><code>Rmerge(I) 0.139 0.060 1.423 0.139</code><br><code>Rmerge(I+/-) 0.138 0.060 1.316 0.138</code><br><code>Rmeas(I) 0.140 0.061 1.590 0.140</code><br><code>Rmeas(I+/-) 0.140 0.060 1.609 0.140</code><br><code>Rpim(I) 0.016 0.007 0.683 0.016</code><br><code>Rpim(I+/-) 0.023 0.009 0.894 0.023</code><br><code>CC half 1.000 1.000 0.271 1.000</code><br><code>Anomalous completeness 97.8 100.0 67.8 92.3</code><br><code>Anomalous multiplicity 28.7 43.6 2.6 28.3</code><br><code>Anomalous correlation 0.038 0.276 -0.050 0.049</code><br><code>Anomalous slope 0.667 </code><br><code>dF/F 0.060 </code><br><code>dI/s(dI) 0.629 </code><br><code>Total observations 669615 52255 2342 670277</code><br><code>Total unique 12231 669 507 12529</code></p>
Four sweep cubic insulin data set recorded using dose mode (1MGy / scan) on Diamond Light Source beamline i04
<p>Four sweep cubic insulin data set recorded on Diamond Light Source beamline i04 as part of routine testing. Data were collected with four full 360° scans / 0.1° / image to give a total of 1MGy / scan i.e. "carefully" to avoid problems of obvious radiation damage. The beam size was adjusted to be about the same as the crystal, spreading the dose uniformly across the sample. </p> <p> </p> <p>Processing using my "<a href="https://github.com/graeme-winter/dials_tutorials/blob/main/se-thaumatin/tldr.md">standard DIALS script</a>" gives nice data to 1.2Å:</p> <pre><code> Overall Low High High resolution limit 1.20 3.26 1.20 Low resolution limit 55.07 55.13 1.22 Completeness 100.0 100.0 100.0 Multiplicity 150.2 155.4 76.0 I/sigma 40.8 295.5 0.4 Rmerge(I) 0.075 0.027 7.170 Rmerge(I+/-) 0.075 0.026 7.127 Rmeas(I) 0.076 0.027 7.218 Rmeas(I+/-) 0.075 0.027 7.220 Rpim(I) 0.006 0.002 0.815 Rpim(I+/-) 0.008 0.003 1.140 CC half 1.000 1.000 0.335 Anomalous completeness 100.0 100.0 100.0 Anomalous multiplicity 77.7 84.8 38.9 Anomalous correlation 0.499 0.680 -0.005 Anomalous slope 0.626 dF/F 0.031 dI/s(dI) 0.761 Total observations 3709553 203869 91461 Total unique 24699 1312 1204</code></pre> <p>Data shared to allow use in tutorials etc. as well as a reference for future data handling questions.</p> <p> </p>
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