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Table 1 X-ray data collection and crystallographic refinement statistics for Dr β-clamp

From: Crystal structure of the DNA polymerase III β subunit (β-clamp) from the extremophile Deinococcus radiodurans

Data collection

 

X-ray source

ESRF ID29

Space group

P3221

Unit cell (Å)

a = b = 84.41, c = 198.74

Resolution (Å)

30 – 2.00 (2.05 – 2.00)

Wavelength (Å)

0.9724

No. unique reflections

55 287

Multiplicity

3.3 (3.3)

Completeness (%)

98.0 (98.2)

Mean (<I> /<σI>)

17.4 (2.6)

R-sym (%)a

4.5 (52.8)

Wilson B-factor (Å2)

40.2

Refinement

 

PDB entry

4TRT

R-factor (all reflections) (%)

20.0

R-free (%)b

23.5

Number of atoms

5758

Number of water molecules

292

RMSD bond lengths (Å)

0.008

RMSD bond angles (°)

1.255

Average B-factor (Å2)

 

All atoms

46.4

Protein

46.2

Water

49.2

Ramachandran plot

 

Favoured regions (%)

713 (97.7)

Allowed regions (%)

17 (2.3)

Outliers (%)

0 (0)

  1. Values in parenthesis are for the highest resolution shell.
  2. a R − sym = (∑ h i |I i (h) − < I (h) > |) / (∑ h I I (h)), where Ii(h) is the ith measurement of reflection h and < I(h) > is the weighted mean of all measurements of h. b5 % of the reflections were used in the R-free calculations.