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. 2008 Apr 30;64(Pt 5):438–441. doi: 10.1107/S1744309108011718

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

Values in parentheses are for the highest resolution bin (approximate interval of 0.1 Å).

Crystal WO2 Fab, form A WO2 Fab–Aβ1–16 WO2 Fab–Aβ1–28 WO2 Fab, form B
Crystallization conditions 100 mM MES pH 6.7, 20%(v/v) PEG 550 MME, 10 mM ZnSO4 100 mM MES pH 6.5, 25%(v/v) PEG 400 100 mM bicine pH 9.0, 20%(w/v) PEG 8000, 200 mM MgCl2 100 mM MES pH 6.5, 25%(v/v) PEG 550 MME, Aβ1–42 (equimolar)
Cryoprotectant 100 mM MES pH 6.7, 30%(v/v) PEG 550 MME, 10 mM ZnSO4 Not required 100 mM bicine pH 9.0, 25%(v/v) PEG 8000, 200 mM MgCl2 100 mM MES pH 6.5, 25%(v/v) PEG 550 MME, 20%(v/v) glycerol
X-ray source 14-BMC, APS 14-BM-C, APS Rotating anode Rotating anode
X-ray wavelength (Å) 0.99988 0.99988 Cu Kα Cu Kα
Temperature (K) 100 100 100 100
Space group P212121 P212121 P212121 P21
Unit-cell parameters        
a (Å) 52.4 51.7 51.7 40.4
b (Å) 90.5 66.6 66.4 111.2
c (Å) 123.3 115.2 115.5 53.1
 β (°)       103.8
Maximum resolution (Å) 1.6 1.6 1.6 1.9
Total observations 328859 273773 248683 100646
Unique reflections used 76778 53462 53254 33358
Redundancy 4.3 (3.2) 5.1 (3.2) 4.7 (3.1) 3.0 (2.0)
Data completeness (%) 98.0 (87.8) 99.2 (92.2) 99.7 (100) 93.3 (68.1)
Rmerge (%) 10.1 (28.2) 11.8 (26.3) 7.3 (30.0) 5.8 (16.4)
I/σ(I)〉 16.6 (2.3) 14.3 (2.7) 11.4 (3.8) 14.4 (4.8)

R merge = Inline graphic Inline graphic, where I i(hkl) is the intensity of the ith measurement of an equivalent reflection with indices hkl.