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. 2007 Nov 21;63(Pt 12):998–1002. doi: 10.1107/S1744309107050920

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

Values in parentheses are for the outer resolution shell. 〈I〉/〈σ(I)〉 fell to 2 at 4.2 Å resolution.

PDB code 2v8a
Data collection  
 Beamline SLS X06S
 Detector MAR CCD
 Wavelength (Å) 0.90500
 Space group R32
 Unit-cell parameters (Å, °) a = b = 102.18, c = 193.98, α = β = 90, γ = 120
 Resolution (Å) 43.15–3.50 (3.69–3.50)
 Total No. of observations 22898 (3371)
 Unique observations 5071 (719)
 Multiplicity 4.5 (4.7)
 Completeness (%) 99.5 (99.9)
 Wilson B2) 53
 〈I/σ(I)〉 7.2 (3.4)
Rmerge 0.22 (0.37)
 〈I〉/〈σ(I)〉 2.7 (1.7)
Refinement  
Rcryst/Rfree (%) 26.0/28.5
 R.m.s. deviation from ideal values  
  Bond lengths (Å) 0.005
  Bond angles (°) 1.4
  Dihedrals (°) 3.4
 Mean B value (Å2)  
  All atoms 44.5
  Main chain 44.4
  Side chain 44.7

R merge = Inline graphic Inline graphic, where I(k) and 〈I〉 represent the kth observation of I and the mean value, respectively.

R cryst = Inline graphic Inline graphic; R free is R cryst for the 5% cross-validation test set.