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. 2020 Jun 16;48(13):7569–7583. doi: 10.1093/nar/gkaa507

Table 2.

Data collection and refinement statistics

Data collection
Detector type/source Rayonix CCD/APS LS-CAT
Wavelength (Å) 0.97872
Space group P6522
Cell parameters a = b = 118.28 Å, c = 261.55 Å
Number of data sets 5
Resolution range (Å)a 39.18–3.28 (3.46–3.28)
Total number of observations 720 160 (41 046)
Unique reflections 15 332 (760)
Mean (I)/σ(I) 18.2 (1.8)
Completeness (spherical) (%)b 88.3 (30.7)
Completeness (ellipsoidal) (%) 92.8 (43.8)
Multiplicity 47 (54)
R merge (all I+ & I−) 0.160 (4.129)
R merge (within I+/I−) 0.176 (4.153)
R meas (all I+ & I−) 0.162 (4.168)
R meas (within I+/I−) 0.179 (4.227)
R pim (all I+ & I−) 0.025 (0.561)
R pim (within I+/I−) 0.36 (0.784)
CC(1/2) 0.996 (0.598)
Refinement
Number of reflections working/test 14,553/785
R (working set; %) 26.37 (37.6)
R free (test set; %) 27.93 (61.2)
Structure quality
RNA atoms 3174
Other atoms 227
RMS deviations in bond lengths (Å) 0.003
RMS deviations in bond angles (°) 0.807
Average B factor (Å2) (RNA) 137.4
Average B factor (Å2) (all atoms) 136.8

aNumbers in parenthesis correspond to the highest resolution shell.

bAnisotropic data were processed used the Staraniso server (36).