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. 2003 Mar 3;22(5):1125–1133. doi: 10.1093/emboj/cdg110

Table I. Statistics of data collection and refinement.

Space group P1
Cell dimensions a = 41.7 Å, b = 53.8 Å, c = 79.5 Å, α = 81.6°, β = 76.6°, γ = 90.0°
No. of measurements 80 223
No. of independent reflections 38 985
Data range (Å) 40.5–2.10
Rmerge (%)a  
 Overall 10.4
 Last shell (2.14–2.10 Å) 50.0
Data completeness (%)  
 Overall 89.6
 Last shell 87.1
I/(σ)I  
 Overall 9.2
 Last shell 2.0
No. of reflections used in refinement 34 917 (30.0–2.10 Å)
No. of non-H protein atoms 4908
No. of water molecules, GMPPNP, Mg2+ 422, 2, 2
Rwork (%) 21.9
Rfree (%)b 27.3
R.m.s.d. in bond lengths (Å) 0.010
R.m.s.d. in bond angles (°) 1.7
Mean B value (Å2)  
 Cdc42 (all/main chain/side chain) 28.7/27.5/29.9
 Par6 (all/main chain/side chain) 26.5/25.3/27.8
 Water molecules, GMPPNP, Mg2+ 34.5, 23.5, 19.9
Cross-validated σA-coordinate error (Å) 0.30
Missing residues Cdc42: none
  Par6: 126–130

graphic file with name cdg110equ1.jpg, where the outer sum (h) is over the unique reflections and the inner sum (I) is over the set of independent observations of each unique reflection.

bRfree is calculated for a randomly selected 5% subset of reflections.