Table 1. X-ray data-collection statistics for N-acetylmannosamine kinase from S. aureus .
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 ¶ (Å3 Da−1) | 2.47 |
Solvent content¶ (%) | 50.2 |
R merge = .
R r.i.m. = .
R p.i.m. = , 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.