Table 1 Data Collection and refinement statistics (molecular replacement)

From: Structural consequence of the most frequently recurring cancer-associated substitution in DNA polymerase ε

 

Pol2CORE-M644G PDB ID 6fwk

Pol2CORE-P301R PDB ID 6g0a

Pol2CORE-P301R PDB ID 6i8a

Data collection

 Spacegroup

P2

C2

P2

 Cell parameter

   a,b,c (Å)

154.0, 70.3, 158.9

159.9, 67.25, 151.6

154.5, 70.3, 159.3

  α, β, γ (°)

90, 112.8, 90

90, 111.5, 90

90, 112.8, 90

Resolution range (Å)

50–2.5(2.57–2.5)

78–2.62(2.71–2.62)

50–2.65(2.81–2.65)

Completeness (%)a

99.2(94.1)

98.7(98.2)

98.7(94.5)

I/σ(I) a

8.76(0.63)

5.9(1.3)

10.23(0.89)

Rmeas (%)a

10.8(196)

15.6(105.4)

8.9(142.5)

Refinement

 Resolution (Å)

2.5

2.62

2.65

 No. of reflections

107685

44625

90534

 Rwork/Rfree(%)

21.8/26.3

22.4/26.5

22.9 (27.9)

 No. of atoms

   Protein

17295

8625

16937

   DNA

1056

528

1056

   dATP

60

30

60

   Metal

7

3

6

   Water

11

15

6

 B factors

   Protein

73.7

54.9

78.7

   DNA

64.5

39.82

68.0

   dATP

50.7

30.65

53.6

   Metal

81.5

59.90

83.6

   Water

69.4

42.5

72.4

 R.m.s deviations

   Bond length (Å)

0.005

0.006

0.006

   Bond angle (°)

0.736

0.830

0.795

  1. aValues in parentheses are for the outer shell. X-ray data were collected from single crystal
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