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. 2014 Mar 25;70(Pt 4):517–521. doi: 10.1107/S2053230X14005196

Table 3. Data-collection and processing statistics.

Values in parentheses are for the outer shell.

Diffraction source P14 at PETRA III/DESY
Wavelength (Å) 0.976
Temperature (K) 100
Detector PILATUS 6M
Crystal-to-detector distance (mm) 266.6
Rotation range per image (°) 0.2
Total rotation range (°) 200
Space group C2221
Unit-cell parameters (Å, °) a = 55.13, b = 82.51, c = 156.98, α = β = γ = 90
Resolution range (Å) 50–1.65 (1.7–1.65)
Total No. of reflections 168873
No. of unique reflections 43134
Completeness (%) 99.2 (99.1)
Multiplicity 3.9
I/σ(I)〉 12 (1.2)
R meas (%) 7.7 (134)
CC1/2 § (%) 99.9 (35.3)
Overall B factor from Wilson plot (Å2) 29.7

The mean I/σ(I) falls below 2.0 at 1.75 Å resolution.

R meas is the redundancy-independent R factor as defined by Diederichs & Karplus (1997) and Weiss & Hilgenfeld (1997). Inline graphic Inline graphic.

§

CC1/2 is defined as the correlation coefficient between two random half data sets, as described by Karplus & Diederichs (2012).