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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 (Ã…)

1.5418

Resolution range (Ã…)

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 (Ã…)

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 (Ã…2)

42.3

Rms bond length deviation (Ã…)

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 .