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. 2014 Feb 17;53(9):1435–1446. doi: 10.1021/bi500010m

Table 1. Crystallographic Data Processing and Refinement Statistics for Cdx E134A/E135A/E138Aa.

radiation source SSRL 7-1
space group P3221
unit cell dimensions  
a, b, c (Å) 82.107, 82.107, 37.055
α, β, γ (deg) γ = 120
resolution range (Å) 99–1.21 (1.23–1.21)
wavelength (Å) 1.0
total no. of observations 210090
no. of unique reflections 43778 (2151)
completeness (%) 98 (98.9)
Rsym 0.044 (0.195)
I/σ⟩ 18.8 (6.32)
redundancy 4.8 (3.8)
B factor, Wilson plot (Å2) 11.3
no. of reflections used in refinement 43762
resolution range (Å) used in refinement 32.7–1.21
no. of protein atoms fit 1105
no. of heteroatoms fit 30
no. of waters fit 116
Rwork (%) 13.5
Rfree (%) 15.1
rmsd for bond lengths (Å) 0.015
rmsd for bond angles (deg) 1.592
no. of observations per parameter 4.1
a

Values for the highest-resolution shell are given in parentheses.