Skip to main content
. 2009 Sep 16;65(Pt 10):1021–1031. doi: 10.1107/S0907444909026547

Table 1. Data-collection and refinement statistics.

Values in parentheses are for the highest resolution shell.

X-ray source SSRL BL 9-2
Wavelength () 0.979
Space group C2221
Unit-cell parameters  
a () 161.1
b () 227.2
c () 106.8
= = () 90
Resolution () 35.02 (2.95)
No. of reflections 116293
No. of unique reflections 38467
Completeness (%) 92.1 (95.8)
Redundancy 3.0 (3.3)
R merge (%) 10.7 (35.7)
I/(I) 7.32 (1.95)
Refinement statistics  
Resolution () 35.032.95
No. of reflections (F 0) 38315
R factor (%) 24.29
R free (%) 28.22
R.m.s.d. bond lengths () 0.014
R.m.s.d. bond angles () 1.867
Ramachandran plot statistics  
Residues§ 1259
Most favorable regions 1075
Allowed regions 184
Generously allowed regions 0
Disallowed regions 0
Asymmetric unit content  
Non-H protein atoms 11285
Waters 86

R merge = Inline graphic Inline graphic, where I(hkl) is the mean of i observations of reflection hkl.

R factor and R free = Inline graphic Inline graphic for 95% of the recorded data (R factor) or 5% of the data (R free).

§

Number of nonproline and nonglycine residues used for calculation.