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. Author manuscript; available in PMC: 2012 Oct 12.
Published in final edited form as: Structure. 2011 Oct 12;19(10):1509–1517. doi: 10.1016/j.str.2011.07.008

Table 1.

Data collection and structure refinement statistics

CALX1.1-CBD12 CALX1.2-CBD12
Data collection
Space group P 43 R 3
Cell dimensions
    a, b, c (Å) 62.8, 62.8, 226.3 107.5, 107.5, 358.7
    α, β, γ (o) 90, 90, 90 90, 90, 120
Resolution (Å) 40.0-2.35 (2.39-2.35)* 46.2-2.9 (2.96-2.9)*
Rsym (%) 7.8 (50.2) 12.3 (40.1)
I /σ(I) 7.7 (2.2) 5.1 (1.5)
Completeness (%) 99.7 (99.8) 91.2 (93.0)
Redundancy 4.6 (4.5) 2.7 (2.5)
Refinement
Resolution (Å) 40.0-2.35 46.2-2.9
No. of unique reflections 33954 34762
Rwork / Rfree (%) 21.9/26.0 23.0/27.8
No. atoms/a.s.u.
    Protein 3877 7903
    Ca2+ 8 16
    Water 42 38
B-factors
    Protein 51.7 63.3
    Ca2+ 41.4 55.1
    Water 29.6 40.6
r.m.s. deviations
    Bond lengths (Å) 0.007 0.008
    Bond angles (o) 1.191 1.255
*

One crystal for each structure; values in parentheses are for highest-resolution shell.