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. 2013 Nov 28;69(Pt 12):1363–1367. doi: 10.1107/S1744309113028959

Table 1. Crystallographic data measured from native crystals.

Values in parentheses are for the highest resolution bin.

  Native 1 Native 2 Selenomethionine
Construct pb1(794–1396) pb1(970–1396) pb1(970–1396)
Synchrotron beamline BL13-XALOC, ALBA BL13-XALOC, ALBA I02, DLS
Detector Pilatus 6M Pilatus 6M Pilatus 6M
Crystal-to-detector distance (mm) 478 434 487
Wavelength (Å) 1.0061 1.0061 0.9797
No. of images 180 180 2400
Oscillation range (°) 1.0 1.0 0.10
Space group P63 R32 C2
Unit-cell parameters
a (Å) 52.2 80.4 227.4
b (Å) 52.2 80.4 58.2
c (Å) 299.1 80.4 69.9
 α (°) 90.0 53.7 90.0
 β (°) 90.0, 53.7 98.8
 γ (°) 120.0 53.7 90.0
Resolution range (Å) 45.2–2.34 (2.47–2.34) 68.6–2.90 (3.06–2.90) 56.2–2.52 (2.59–2.52)
Unique reflections 17817 (2641) 4882 (681) 30585 (2237)
Multiplicity 2.8 (2.7) 8.1 (7.9) 6.3 (6.5)
Completeness (%) 92.0 (92.8) 100.0 (100.0) 96.8 (95.8)
〈I/σ(I)〉 5.3 (3.8) 8.4 (2.4) 11.4 (2.3)
R merge (%) 17.0 (23.7) 19.2 (119.9) 10.0 (64.4)
CC Imean 0.926 (0.760) 0.991 (0.641) 0.996 (0.869)
CC anom −0.167 (−0.001) −0.137 (0.021) 0.508 (0.059)
Wilson B2) 11.9 37.1 41.1

R merge = Inline graphic Inline graphic, where Ii(hkl) is the intensity of the ith measurement of the same reflection and 〈I(hkl)〉 is the mean observed intensity for that reflection.