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. 2014 Feb 27;70(Pt 3):877–888. doi: 10.1107/S1399004713032276

Table 2. Summary of statistics and refinement of the BGLPf-M3 crystallographic data.

Values in parentheses are for the highest resolution shell.

PDB entry 3wdp
X-ray source BL44XU, SPring-8
Wavelength (Å) 0.90
Space group C2
Unit-cell parameters (Å, °) a = 122.15, b = 161.15, c = 183.82, α = 90.00, β = 108.38, γ = 90.00
Resolution range (Å) 50.00–1.70 (1.76–1.70)
Total No. of reflections 1214951
No. of unique reflections 367711
Completeness (%) 99.3 (99.1)
Mean I/σ(I) 20.0 (3.9)
R merge 0.086 (0.361)
Refinement statistics
 Resolution range (Å) 50.00–1.70 (1.76–1.70)
R factors (R free/R work) 0.233/0.212 (0.281/0.258)

R merge = Inline graphic Inline graphic, where 〈I(hkl)〉 is the mean intensity of all reflections equivalent to reflection hkl.

R work and R free = Inline graphic Inline graphic, where a randomly selected 5% of the data were used to calculate R free.