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. 2007 Dec 20;64(Pt 1):8–13. doi: 10.1107/S1744309107066481

Table 1. Summary of diffraction data and refinement statistics.

Values in parentheses are for the outer shell.

Data-collection parameters  
X-ray source BL44XU, SPring-8
Wavelength () 0.9
Resolution range () 152.502.79 (2.942.79)
No. of observed reflections 2846632 (229963)
No. of unique reflections 208594 (24692)
Space group I23
Unit-cell parameters () a = b = c = 375
R merge † (%) 16.4 (60.8)
Completeness (%) 99.2 (80.2)
Refinement statistics  
No. of protein atoms 35255
No. of water molecules 39
No. of calcium ions 20
R factor (%) 20.84
Free R factor (%) 22.38
Mean B value (2) 32.5
R.m.s.d.s from ideal values  
Bond lengths () 0.01
Bond angles () 1.3
Ramachandran plot  
Residues in allowed regions (%) 100
Residues in disallowed region (%) 0
†

R merge = Inline graphic Inline graphic, where I i(hkl) is the intensity of the measured reflection i and Inline graphic is the averaged I(hkl) of equivalent reflections.