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. 2005 Mar;14(3):663–675. doi: 10.1110/ps.041142905

Table 3.

X-ray crystallographic statistics

Ca2+-loaded apo-aequorin Ca2+-loaded apo-obelin
Data collection statistics
    Wavelength (Å) 2.2909 0.97 0.97
    Space group P43P12 P43212 P41212
    Resolution overall/outer (Å) 50–2.5/2.59–2.5 50–1.7/1.76–1.7 50–2.2/2.28–2.2
    Completeness overall/outer (%)a 99.5/–95.2 98.8/91.7 99.8/99.4
    Rmerge overall/outer (%) 5.3/11.2 3.8/27.0 7.4/25.1
    I/σ1 overall/outer 40.5/13.7 45.9/4.7 20.4/4.7
Refinement statistics
    Resolution range (Å) 50.0–1.7 50.0–2.2
         Rwork 0.21 0.20
         Rfree 0.23 0.24
    Free R-value test set (%) 5 5
    Mean B-factor (Å2) 30.4 27.2
    RMSDs from ideality
         Bond lengths (Å) 0.019 0.015
         Bond angles (°) 1.6 1.3

aRmerge = ∑hkli|Ihkl,i - 〈Ihkl〉|/∑hkl,i|Ihkl,i|, where Ihkl,i is the intensity of an individual measurement of the reflection with the Miller indices h, k, and l, and 〈Ihkl〉 is the mean intensity of that reflection.