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. 2014 Apr 17;70(Pt 5):643–649. doi: 10.1107/S2053230X14007250

Table 1. X-ray data-collection statistics for N-acetylmannosamine kinase from S. aureus .

Values in parentheses are for the highest resolution shell. The Matthews coefficient and solvent content are based on eight monomers, with a combined molecular mass of 253 464 Da, in the asymmetric unit.

Wavelength (Å) 0.9537
No. of images 360
Oscillation range (°) 0.5
Space group P2
Unit-cell parameters (Å, °) a = 83.7, b = 117.9, c = 130.6,α = 90, β = 103.9, γ = 90
Resolution (Å) 46.9–2.60 (2.66–2.60)
Observed reflections 198489 (12927)
Unique reflections 69158 (4557)
Completeness (%) 91.2 (93.5)
R merge 0.081 (0.469)
R r.i.m 0.115 (0.663)
R p.i.m. § 0.081 (0.468)
Mean I/σ(I) 9.0 (1.8)
Multiplicity 2.9 (2.8)
Wilson B value (Å2) 34.2
Molecules per asymmetric unit 8
V M 3 Da−1) 2.47
Solvent content (%) 50.2

R merge = Inline graphic Inline graphic.

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

§

R p.i.m. = Inline graphic Inline graphic, where Ii(hkl) is the ith intensity measurement of reflection hkl, 〈I(hkl)〉 is its average and N(hkl) is the redundancy of a given reflection.

The most probable values, assuming eight molecules in the asymmetric unit, are given.