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. 2011 May 26;67(Pt 6):718–722. doi: 10.1107/S174430911101548X

Table 1. Data-collection and processing statistics.

Values in parentheses are for the highest resolution shell.

Beamline X06SA, SLS
Wavelength (Å) 0.9998
Detector PILATUS 6M
Crystal-to-detector distance (mm) 670.0
Rotation range per image (°) 0.5
Total rotation range (°) 125
Resolution range (Å) 30–4.3 (4.4–4.3)
Space group P21212
Unit-cell parameters (Å) a = 181.1, b = 69.2, c = 124.2
Mosaicity (°) 0.14
Total No. of measured reflections 97149
Unique reflections 11128
Multiplicity 8.7
Mean I/σ(I) 9.8 (2.7)
Completeness (%) 99.9 (99.6)
Rmeas (%) 15.4 (96.5)
Rmerge-F (%) 15.9 (57.7)
Molecules per asymmetric unit 1
Matthews coefficient3 Da−1) 4.1
Solvent content (%) 70.0

The quality of the individual intensity observations and the reduced structure-factor amplitudes are evaluated by R meas and R merge-F, respectively. R meas  = Inline graphic Inline graphic, where n h is the multiplicity, I h,i is the ith intensity of reflection h and 〈I h〉 is the weighted average intensity for all observations i of reflection h. R merge-F = Inline graphic Inline graphic, where I h,P and I h,Q represent the partially averaged intensities (Diederichs & Karplus, 1997).

The most probable solution according to statistical sampling (Kantardjieff & Rupp, 2003).