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. 2013 Mar 28;69(Pt 4):387–392. doi: 10.1107/S1744309113004971

Table 1. Data-collection and refinement statistics for DmPCNA.

Values in parentheses are for the highest resolution shell.

Data collection
 Space group H3
 Unit-cell parameters (Å) a = b = 151.16, c = 38.28
 Wavelength (Å) 0.97915
 Resolution range (Å) 50.0–2.00 (2.03–2.00)
 Total reflections 20100
 Unique reflections 1026
 Completeness (%) 91.6 (95.5)
 Multiplicity 2.8 (2.9)
R merge 0.070 (0.282)
 〈I/σ(I)〉 28.9 (4.2)
 Mosaicity (°) 0.300
 Matthews coefficient (Å3 Da−1) 3.94
Refinement
 Resolution (Å) 28.57–2.00
 No. of reflections 19958 (1028)
R work/R free 0.228 (0.278)
 No. of atoms
  Protein 1845
  Water 116
 R.m.s. deviations
  Bond lengths (Å) 0.006
  Bond angles (°) 1.156
 Ramachandran favoured (%) 95.63
 Ramachandran outliers (%) 0.87
Average B factors (Å2) 34.35

R merge = Inline graphic Inline graphic.

R work = Inline graphicInline graphic Inline graphic. R free was computed identically except that all reflections belonged to a test set consisting of a randomly selected 5% of the data.