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. 2008 Apr 30;64(Pt 5):428–431. doi: 10.1107/S1744309108011196

Table 1. Crystal and data-collection statistics.

Values in parentheses are for the highest resolution shell.

Temperature (K) 100
X-ray source APS, BioCARS, 14-BM-C
Detector ADSC Quantum 315
Wavelength (Å) 1.0000
Space group, crystal system P41212, tetragonal
Unit-cell parameters (Å) a = b = 86.6, c = 104.3
Matthews coefficient VM3 Da−1) 2.7
Solvent content (%) 53.5
Molecules per ASU 1
Resolution range (Å) 100–1.80 (1.86–1.80)
Mosaicity (°) 0.3
Total observations 172279
Unique observations 37229
Multiplicity 4.6 (4.7)
Data completeness (%) 99.1 (100)
I/σ(I)〉 43.8 (2.6)
Rmerge (%) 3.0 (50.5)

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