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. Author manuscript; available in PMC: 2014 Nov 5.
Published in final edited form as: Structure. 2013 Oct 3;21(11):10.1016/j.str.2013.08.021. doi: 10.1016/j.str.2013.08.021

Table 1A.

X-ray crystallography data collection and refinement statistics

Data collection

Cell parameters (Å) a = 167.074, b = 167.074, c = 65.156
α = β = 90°, γ = 120°
Space group P321
Wavelength (Å) 0.9794
Resolution (Å) 50 (2.95) – 2.9
No. of all reflections 233550
No. of unique reflections 23503
Completeness (%) 99.9 (100)
Redundacy 9.9 (10.1)
I/σI 6.2 (2.7)
Rmerge (%) 9.4 (66.9)

Refinement

Resolution (Å) 50 – 2.9
Total No. of reflections 23501
No. of reflections used 22293
Rwork/Rfree (%) 25.5/26.8
No. of atoms 3875
Protein 3836
Water 3
SSA 1
PO43− 1
Mg2+ 2
R.m.s. deviations
Bond lengths (Å) 0.007
Bond angle (°) 1.0
Average B-factors (Å2) 69.7