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. 2019 Apr 2;75(Pt 4):270–277. doi: 10.1107/S2053230X19002152

Table 4. X-ray diffraction data-collection and processing statistics for PA2949.

Values in parentheses are for the highest resolution shell.

Beamline ID23-1
Detector PILATUS 6M
Wavelength (Å) 0.9791
Resolution range (Å) 47.86–2.54 (2.65–2.54)
Space group I4122
a, b, c (Å) 135.36, 135.36, 205.29
α, β, γ (°) 90, 90, 90
Total reflections 179853
Unique reflections 31637 (3807)
Multiplicity 5.7 (5.9)
Completeness (%) 99.7 (99.9)
Mean I/σ(I) 8.8 (1.3)
Wilson B factor (Å2) 45.91
R merge 0.148 (1.656)
R meas 0.162 (1.813)
R p.i.m. 0.067 (0.730)
Mn(I) half-set correlation CC1/2 0.994 (0.419)
Expected No. of molecules in asymmetric unit 2
Solvent fraction (%) 58
Matthews coefficient (Å3 Da−1) 2.9