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. 2008 Nov 28;64(Pt 12):1092–1095. doi: 10.1107/S1744309108033654

Table 1. Data-collection and refinement statistics.

Values in parentheses are for the highest resolution shell.

Resolution (data processing) (Å) 32.14–2.00 (2.05–2.00)
No. of images 272
Oscillation range (°) 0.25
Space group P3121
Unit-cell parameters (Å) a = b = 120.95, c = 110.03
No. of reflections/unique reflections 256351/62822
Redundancy 4.08 (4.00)
Completeness (%) 99.6 (100.0)
Rmerge 0.083 (0.351)
Wilson B value (Å2) 25.2
I/σ(I) 10.4 (3.7)
Resolution (refinement) (Å) 32.14–2.00 (2.05–2.00)
Rfree 0.245 (0.385)
Rcryst§ 0.188 (0.317)
Mean B values (Å2)  
 Protein 27.8
 Water molecules 33.6
Estimated coordinate error (Å) 0.12
Residues/water molecules 584/522
R.m.s.d.s from ideal geometry  
 Bond lengths (Å) 0.010
 Bond angles (°) 1.22

R merge = Inline graphic Inline graphic.

R free is based on 5% of the total reflections excluded from refinement.

§

R cryst = Inline graphic Inline graphic.

Based on maximum-likelihood calculations.