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. 2013 Apr 30;69(Pt 5):570–573. doi: 10.1107/S1744309113010750

Table 1. X-ray data-collection statistics.

Values in parentheses are for the outermost resolution shell.

Beamline P13, EMBL, Hamburg, Germany
Wavelength (Å) 0.968
No. of crystals 1
Detector PILATUS 6M, DECTRIS
Δϕ per image (°) 0.1
No. of images 1600
Exposure time (s) 0.5
Crystal-to-detector distance (mm) 568.06
Space group P21212
Unit-cell parameters (Å)
a 155.589
b 178.736
c 158.806
Resolution (Å) 178.74–2.77 (2.92–2.77)
Total No. of observations 678862
No. of unique observations 112787
R merge 0.184 (0.591)
R p.i.m. 0.074 (0.235)
I/σ(I)〉 7.5 (3.0)
Multiplicity 6.0 (6.2)
Completeness (%) 99.9 (99.9)
Crystal mosaicity§ (°) 0.102
B factor from Wilson plot (Å2) 28.2

R merge = Inline graphic Inline graphic, where Ii(hkl) is an individual intensity measurement and 〈I(hkl)〉 is the average intensity for this reflection.

R p.i.m. = Inline graphic Inline graphic, where Ii(hkl) is an individual intensity measurement and 〈I(hkl)〉 is the average intensity for this reflection.

§

REFLECTING_RANGE_E.S.D. as indicated by XDS (Kabsch, 2010).