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. 2008 Jul 3;27(14):1995–2005. doi: 10.1038/emboj.2008.125

Table 1.

Crystallographic statistics for the Ras/NORE1A complex

Data collection Refinement
Space group C2 Resolution range (Å)a 10–1.8
Unit cell   Rwork (%)b 19.3
a (Å) 79.6 Rfree (%)c 23.0
b (Å) 88.0 Number of atoms  
c (Å) 56.5  Protein 2396
 β (deg) 125.0  GppNHp/Mg2+ 32/1
X-ray source ESRF ID14-4  Number of water molecules 115
Wavelength (Å) 0.933 Average B factor (Å2) 25.8
Resolution range (Å)a 10–1.78 (1.85–1.78) RMS deviations from ideal values  
Number of total reflections 30 212  Bond lengths (Å) 0.015
Number of unique reflections 29 894  Bond angles (deg) 1.456
Completeness (%)a 97.2 (86.3) Ramachandran plot  
Ia 13.6 (4.1)  Residues in most favoured regions (%) 94.4
Rmerge (%)a,d 8.6 (34.8)  Residues in additional allowed regions (%) 5.6
aValues in parentheses correspond to the highest resolution shell.
bRwork=∑hklFoFc∣/∑hklFo∣, where Fo and Fc are the observed and calculated structure factors, respectively.
cRfree=∑hklFoFc∣/∑hklFo∣ was calculated with 5% of the data omitted from structure refinement.
dRmerge(I)=∑hkliIhkl,i−〈Ihkl〉∣/∑hkli/Ihkl,i∣, where 〈Ihkl〉 is the average intensity of the multiple Ihkl,i observations for symmetry-related reflections.