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. 2007 Mar 12;63(Pt 4):300–303. doi: 10.1107/S1744309107008846

Table 1. Data-collection and processing statistics.

Values in parentheses are for the outermost shell.

Temperature (K) 120
Space group P43
Unit-cell parameters (Å)  
a 43.15
b 43.15
c 231.86
VM3 Da−1) 2.36
Solvent content (%) 48
Resolution range (Å) 43.15–2.04 (2.11–2.04)
No. of measured reflections 181494
No. of unique reflections 26502 (2641)
Completeness (%) 98.5 (99.1)
Multiplicity 6.8 (4.0)
Average I/σ(I) 12.9 (4.2)
Rmerge(I) (%) 10.5 (24.7)

R merge(I) = Inline graphic Inline graphic, where I l is the lth observation of reflection h and 〈I h〉 is the weighted average intensity for all observations l of reflection h.