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Table 1 Statistics for crystallographic structure determination

From: Structure of vaccinia virus thymidine kinase in complex with dTTP: insights for drug design

Data collection details:  
Data collection site In house
Detector MAR345
Wavelength (Å) 1.5418
Resolution range (Å) 30.0-3.1 (3.21-3.10)
Number of unique reflections 13636
Redundancy 3.8 (2.8)
Completeness (%) 94.8 (87.9)
Average I/σ(I) 8.5 (2.3)
Rmergea 0.149 (0.494)
Refinement statistics:  
Resolution range (Å) 30.0-3.1 (3.18-3.1)
R-factor†(Rwork/Rfree)b 25.7/28.9
Number of protein atoms 5206
Average B factor (Å2) 42.3
Rms bond length deviation (Å) 0.012
Rms bond angle deviation (°) 1.42
  1. Figures in brackets – outer shell data. aRmerge = Σ|I - <I>|/Σ<I>;
  2. bR factor = Σ|F o - F c |/ΣF o .