Published March 24, 2022
| Version v1
Dataset
Open
1440° (4 turn) data set from cubic insulin, with slight radiation damage
Description
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.
Data Collection Parameters
| Wavelength | 1.2399Å |
| Oscillation angle | 0.1° |
| Nominal resolution (inscribed circle) | 1.5 |
| Total rotation | 1440° |
| Nominal flux | 5e11 ph/s |
| Beam size | 80x20µm |
Merging stats from xia2 / DIALS automated online processing
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
Data are made available for any purpose including methods developers trying to optimize their software for higher multiplicity data sets.
Files
Files
(37.1 GB)
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md5:8c07222b95715317b4483a9ffdbfb7d4
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406.9 kB | Download |
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md5:02636f7f1c86457cc65a0de622f77fd9
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2.6 GB | Download |
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md5:b73369f0458475246e461e6681bc7a30
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2.5 GB | Download |
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md5:31aeeb18a5045b67448ac5d7a3cc8a3b
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2.6 GB | Download |
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md5:03def9885d2f0ef444fe29a98fe7a98c
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2.6 GB | Download |
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md5:b2ccfceb55ece81ca80136c7964887a2
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2.5 GB | Download |
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md5:edce23700405d968856648c70291c099
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2.6 GB | Download |
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md5:eac14526a1983ab3c69913b4c348b47e
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2.6 GB | Download |
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md5:3789606c391f5aca2ca7c04626e15b28
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2.6 GB | Download |
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md5:3378867fb7f2b2a80183bff2cf88f5f2
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2.5 GB | Download |
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md5:26918f4c4dcc6bd4ce4b1e38a642ed7e
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2.6 GB | Download |
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md5:aa7051ef22dd8a39ec498fd80c25c264
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2.6 GB | Download |
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md5:3ab197df94531ce2119522f3af254d83
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2.5 GB | Download |
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md5:b904b3bccf104fa81cca02a73ccf9424
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2.6 GB | Download |
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md5:2f36e488a0222fa1bb3071fd7792471a
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2.6 GB | Download |
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md5:adc0ef9d494e6a830797ef8469ca28a1
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1.1 GB | Download |
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md5:8c07222b95715317b4483a9ffdbfb7d4
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406.9 kB | Download |
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md5:50390030f44c6b41790913bf8929042d
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147.4 MB | Download |