Table 1 Crystallographic data collection and refinement statistics

From: Structural basis for sequence context-independent single-stranded DNA cytosine deamination by the bacterial toxin SsdA

 

SsdA

SsdA/ssDNA

PDB ID

9C63

9C64

Data collection

Space group

P212121

P61

Unit cell dimensions

 a, b, c (Å)

52.69, 73.48, 78.06

87.92, 87.92, 134.48

Resolution (Å)

30.14–1.33 (1.41−1.33)

66.3–1.94 (2.03−1.94)

Rsym or Rmerge

0.051 (0.796)

0.152 (1.70)

I/σI

12.8 (1.3)

7.7 (1.5)

Completeness (%)

93.8 (58.9)a

94.7 (56.9)b

Redundancy

5.0 (4.0)

7.1 (7.3)

CC1/2

0.999 (0.602)

0.997 (0.492)

Refinement

Resolution (Å)

30.1−1.34 (1.39−1.34)

66.3−1.94 (2.01−1.94)

No. Reflections

59512 (1376)

38975 (1226)

Rwork/Rfree

0.169/0.195

0.161/0.190

Non-H atoms

2793

3040

 Protein

2417

2399

 DNA

N/A

374

 Ligand/ion

34

26

 Water

342

241

B-factor

28.97

43.70

Protein

28.02

35.91

DNA

N/A

95.88

Ligand/ion

24.77

33.33

Water

36.13

41.36

Ramachandran plot

  

 Favored (%)

99.67

98.66

 Allowed (%)

0.33

1.34

 Outliers (%)

0.00

0.00

R.m.s. deviations

 Bond lengths (Å)

0.007

0.013

 Bond angles (°)

0.93

1.11

  1. Statistics for the highest-resolution shell are shown in parentheses.
  2. aa* 1.46 Å, b* 1.34 Å, c* 1.33 Å.
  3. b0.894a* − 0.447b* 1.94 Å, b* 1.94 Å, c* 2.06 Å.
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