Skip to main content
. 2011 Feb 23;67(Pt 3):318–324. doi: 10.1107/S1744309110053479

Table 1. Data-processing statistics for MJ1004full .

A native data set was collected on synchrotron beamline ID23.2 at the European Synchrotron Research Facility (ESRF), Grenoble, France. Values in parentheses are for the outer resolution shell. R p.i.m. and R meas/R r.i.m. were calculated with SCALA from the CCP4 suite (Collaborative Computational Project, Number 4, 1994).

Beamline ID23.2
Wavelength (Å) 0.873
Total no. of reflections 168619
No. of unique reflections 12996
Resolution range (Å) 79–2.7
Space group P21
Unit-cell parameters (Å)  
a (Å) 54.4
b (Å) 53.8
c (Å) 82.6
 β (°) 106.1
Mosaicity (°) 0.3
Completeness (%) 99.1 (93.0)
Multiplicity 7.2 (5.3)
Rmerge (%) 8.6 (29.4)
Rp.i.m. (%) 5.1 (15.3)
Rmeas/Rr.i.m.§ (%) 13.8 (42.3)
Mean I/σ(I) 23.5 (4.9)
Wilson B value (Å2) 77.5

R merge = Inline graphic Inline graphic, where Ii(hkl) is the ith observation of reflection hkl and 〈I(hkl)〉 is the weighted average intensity for all observations i of reflection hkl.

R p.i.m. = Inline graphic Inline graphic, where N is the number of observations of reflection hkl (Weiss, 2001; Evans, 2006).

§

R meas = R r.i.m. = Inline graphic Inline graphic.