Published March 24, 2022 | Version v1
Dataset Open

1440° (4 turn) data set from cubic insulin, with slight radiation damage

Authors/Creators

  • 1. Diamond Light Source

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

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