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Table 2 Refinement statistics for vvUDG.

From: Crystal structure of vaccinia virus uracil-DNA glycosylase reveals dimeric assembly

PDB ID

Trigonal (Native I)2OWQ

Orthorhombic (Native II)2OWR

Resolution [Å]

19.27–2.40 (2.46–2.40)

20.00–2.30 (2.36–2.30)

No. of Reflections

21956 (1699)

93107 (7120)

Completeness [%]

98.4 (99.7)

99.9 (99.9)

Rall [%]

24.4

25.5

Rwork [%]

24.1 (29.5)

25.3 (28.3)

Rfree [%]

29.9 (35.5)

30.2 (38.0)

No. of Atoms

  

Overall

3725

14550

Protein

3534

13838

Ligands IMD, GOL, EPE

15, 24, NA

NA, 108, 30

Ions Cl-, SO42-

1, 5

1, NA

Water

146

573

Wilson B-factor [Å 2]

35.0

26.0

Average B-factors [Å 2]

  

Overall

27.5

20.9

Protein

27.6

20.6

Ligands IMD, GOL, EPE

37.0, 33.0, NA

NA, 30.6, 62.7

Ions Cl-, SO42-

43.7, 55.5

30.7, NA

Water

24.0

23.8

R.m.s. Deviations

  

Bonds [Å]

0.01

0.01

Angles [°]

1.13

1.33

Coordinate error ESU (max. likelihood)

0.26

0.21

Correlation Coefficient

  

FOFC

0.92

0.90

FOFC free

0.88

0.86

  1. The numbers in parentheses are for the highest-resolution shell.