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. 2017 Mar 31;73(Pt 4):294–315. doi: 10.1107/S2059798317000031

Table 1. X-ray diffraction data-collection and processing statistics.

Values in parentheses are for the highest resolution shell.

  Aae Hfq, apo form (‘P1’) Aae Hfq·U6 RNA (‘P6’)
Diffraction source 24-ID-E, APS NE-CAT 24-ID-C, APS NE-CAT
Wavelength (Å) 0.9792 0.9195
Temperature (K) 100 100
Detector ADSC Q315 CCD Dectris PILATUS 6MF
Crystal-to-detector distance (mm) 200 300
Rotation range per image (°) 1.0 1.0
Total rotation range (°) 400.0 300.0
Exposure time per image (s) 1.0 1.0
Space group P1 P6
a, b, c (Å) 63.46, 66.06, 66.10 66.19, 66.19, 34.21
α, β, γ (°) 60.05, 83.94, 77.17  
Mosaicity (°) 0.143 0.107
Resolution range (Å) 57.27–1.49 (1.53–1.49) 34.21–1.50 (1.55–1.50)
Total No. of reflections 299450 46203
No. of unique reflections 138120 13177
Completeness (%) 93.7 (83.7) 94.9 (93.4)
Multiplicity 2.2 (2.1) 3.5 (3.5)
I/σ(I)〉 14.0 (3.4) 12.3 (3.6)
R merge 0.039 (0.258) 0.056 (0.292)
R meas 0.052 (0.349) 0.065 (0.345)
R p.i.m. 0.035 (0.234) 0.032 (0.179)
CC1/2 § 0.998 (0.886) 0.998 (0.942)
Overall B value from Wilson plot (Å2) 12.62 15.87
Matthews coefficient V M3 Da–1) 2.06 [12 subunits in asymmetric unit] 2.28 [one subunit in asymmetric unit]
Solvent content (%) 40.21 46.08

R merge = Inline graphic Inline graphic, where Ii(hkl) is the intensity of the ith observation of reflection hkl, 〈.〉 denotes the mean of symmetry-related (or Friedel-related) reflections and the coefficient α = 1; the outer summations run over only unique hkl with multiplicities greater than one.

R meas is defined analogously to R merge, save that the prefactor α = [Nhkl/(Nhkl − 1)]1/2 is used; Nhkl is the number of observations of reflection hkl (index i = 1→Nhkl). Similarly, the precision-indicating merging R factor, R p.i.m., is defined as above but with the prefactor α = [1/(Nhkl − 1)]1/2.

§

CC1/2 is the correlation coefficient between intensities chosen from random halves of the full data set.