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. 2011 Jul 14;6(7):e22290. doi: 10.1371/journal.pone.0022290

Table 1. Crystallization, data collection, and refinement statistics for the SMYD3/Sinefungin structure.

Space group P21
Unit Cell a = 58.175Å,b = 118.073Å,c = 82.901Å,α = γ = 90°,β = 91.579°
Wavelength (Å) 1.2815
Resolution (Å) 30.0–1.85
Redundancy 7.3
Unique Reflections 94,957
Completeness (%) 99.8 (99.9)a
<I/σ (I)> 18.4 (4.1)
Molecules/Assym. Unit 2
R/Rwork/ Rfree b (%) 20.1/20.0/21.6
a

Numbers in parentheses refer to the highest resolution shell.

b

R = Σ|Fo-Fc|/Σ|Fo|, where Fo and Fc are the observed and calculated structure factors, respectively. Rwork is calculated using the formula for R, but employing only the 95% of reflections used in the refinement and Rfree is calculated using a randomly-selected 5% subset of reflections not used in the refinement.