Published June 9, 2021
| Version v1
Dataset
Open
Updated Thaumatin tutorial data set for DIALS
Description
Data recorded as part of routine commissioning at Diamond Light Source beamline i03 from a thaumatin standard protein sample. Automated processing with xia2 gives:
For AUTOMATIC/DEFAULT/NATIVE Overall Low High High resolution limit 1.63 4.42 1.63 Low resolution limit 54.20 54.23 1.66 Completeness 91.4 98.1 52.3 Multiplicity 3.2 3.4 1.6 I/sigma 12.4 49.2 0.3 Rmerge(I) 0.070 0.031 1.075 Rmerge(I+/-) 0.063 0.027 0.922 Rmeas(I) 0.081 0.036 1.362 Rmeas(I+/-) 0.080 0.034 1.247 Rpim(I) 0.040 0.018 0.817 Rpim(I+/-) 0.048 0.021 0.833 CC half 0.998 0.998 0.392 Wilson B factor 21.110 Anomalous completeness 69.7 91.3 17.6 Anomalous multiplicity 1.9 2.1 1.2 Anomalous correlation -0.025 0.345 -0.308 Anomalous slope 0.915 dF/F 0.086 dI/s(dI) 0.903 Total observations 95615 6183 1370 Total unique 30248 1818 850 Assuming spacegroup: P 41 21 2 Unit cell (with estimated std devs): 58.1046(2) 58.1046(2) 150.4201(7) 90.0 90.0 90.0
Data consist of 500 x 0.1° rotation images recorded on an Eiger 2XE 16M detector with a 2ms exposure time (i.e. a total of 1s of exposure time for the full data set). Data are deliberately small to facilitate quick processing while being relatively complete thanks to the high symmetry of the sample, and are properly recorded i.e. finely sliced.
Files
Files
(1.5 GB)
| Name | Size | Download all |
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md5:c2906fe456df6efe6b643c485689c289
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70.5 kB | Download |
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md5:d4276aafa501dc2f042a2c1dbaf431ab
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1.4 GB | Download |
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md5:d185a33597f899a5a12520eb7cf12fa8
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66.1 kB | Download |
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md5:23bf66640585156693cc97aab772b9a6
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144.9 MB | Download |