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 |
Numbers in parentheses refer to the highest resolution shell.
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.