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. 2017 Oct 23;73(Pt 11):607–611. doi: 10.1107/S2053230X17015102

Table 3. Data collection and processing.

Values in parentheses are for the outer shell.

  PhyH-DI SeMet PhyH-DI
Diffraction source 3W1A, BSRF 3W1A, BSRF
Wavelength (Å) 1.0000 0.9792
Temperature (K) 100 100
Detector MAR CCD MAR CCD
Crystal-to-detector distance (mm) 180 180
Rotation range per image (°) 1 1
Total rotation range (°) 243 1080
Exposure time per image (s) 90 45
Space group C121 C2221
a, b, c (Å) 156.84, 45.54, 97.64 94.71, 97.03, 69.16
α, β, γ (°) 90.00, 125.86, 90.00 90.00, 90.00, 90.00
Mosaicity (°) 1.489 0.858
Resolution range (Å) 50.0–3.00 (3.05–3.00) 50.00–2.70 (2.75–2.70)
Total No. of reflections 58014 376627
No. of unique reflections 11541 8935
Completeness (%) 99.8 (100) 99.9 (99.3)
Multiplicity 5.0 (5.0) 41.6 (31.2)
I/σ(I)〉 9.61 (2.49) 21.16 (3.38)
R r.i.m. (%) 20.01 (70.88) 20.95 (68.63)
Overall B factor from Wilson plot (Å2) 41.0 44.2