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. 2009 Nov 27;65(Pt 12):1240–1245. doi: 10.1107/S1744309109033788

Table 2. Data-collection and refinement statistics for StCspE.

Values in parentheses are for the outermost resolution shell.

Data statistics  
Space group P21
Unit-cell parameters  
a () 29.40
b () 46.80
c () 46.72
() 90.0
() 103.4
() 90.0
Resolution range () 45.361.10 (1.161.10)
Molecules per ASU 2
Observed reflections 260904 (27528)
Unique reflections 47339 (7261)
I/(I) 15.7 (2.5)
Completeness (%) 99.82 (100)
Multiplicity 5.2 (3.8)
R merge 4.7 (38.9)
Refinement statistics  
R factor (%) 20.33
R free (%) 23.42
No. of protein atoms 1073
No. of water molecules 100
Mean B factor for protein (2) 18.86
R.m.s. deviations from ideal geometry  
Bond distance () 0.02
Bond angle () 1.94
Ramachandran statistics  
Most favoured regions (%) 99.25 [138/140]
Additional allowed regions (%) 0.75 [2/140]
Residues in disallowed regions (%) 0

R merge = Inline graphic Inline graphic.

R factor and R free = Inline graphic Inline graphic.