Table 1. Crystal data and X-ray diffraction data-collection statistics.
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 = , where I i(hkl) is the intensity of the ith measurement of an equivalent reflection with indices hkl.