H53D+FAD H53D+FAD+dUMP Crystallographic parameters     Space group P212121 P212121 Unit-cell dimensions (Å) 53.99, 116.64, 141.38Å 90.0, 90.0, 90.0° 54.37, 116.67, 141.42Ǻ 90.0, 90.0, 90.0° Data collection statistics     Resolution limits (Å) 38.2-2.03 38.3-1.85 No. of observed reflections 354413 278376 No. of unique reflections 58450 72637 Completeness     overall/outer shell Rsyma (%) 99.8/99.2 93.4/62.9 overall/outer shell I/σ 7.1/97.1 3.3/56.8 Overall/outer shell 20.1/1.9 28.6/1.97 Refinement statistics     Resolution limits 38.2-2.05 38.3-1.85 Number of reflections/% 55525/99.8 69005/93.4 Reflections used for Rfree     Rfactorb (%) 19.6 17.0 Rfree (%) 24.9 21.1 Model contents/average B(Å2)     Protein atoms 7221/44.3 7417/31.5 Ligand atoms 140/77.3 181/52.0 Ions/buffer atoms 13/69.1 14/61.5 Water molecules 150/46.3 305/38.2 RMS deviations     Bond length (Å) 0.014 0.015 Bond angle (°) 1.571 1.756 aRsym=Σ | Iavg-Ii|/Σ Ii bRfactor=Σ|Fp-Fpcalc |/ΣFp, where Fp and Fpcalc are observed and calculated structure factors; Rfree is calculated with 5% of the data.

Table 1: Crystallographic parameters, data collection and refinement statistics.