TABLE 1.
Crystallization and data collection
| Data set | CTD1 | CTD2 | CTD3 | NTD1 | ||
|---|---|---|---|---|---|---|
| Crystallization condition | PEG 4000, 28.75% to 29.5%, pH 4.8 citrate, 0.1 M MgCl2
|
30% PEG 4000, 100 mM Tris-HCl, pH 8.6, 800 mM LiCl | 4.3M NaCl, 0.1 M Tris-Cl, pH 8.5 | 25% PEG 4000, 100 mM MES sodium salt, pH 6.2, 200 mM MgCl2 | ||
| X-ray source | SBC-CAT 19ID advanced photon source (Argonne)
|
BIOCARS-14BM-C advanced photon source (Argonne) | ID14-4, ESRF (Grenoble) | BIOCARS-14BM-C advanced photon source (Argonne) | ||
| Wavelength | 0.97937 Å (360°, 1° oscillation) | 0.97951 Å (360°, 1° oscillation) | 0.9000 Å (180°, 1° oscillation) | 0.97626 Å (70°, 1° oscillation) | 0.9000 Å (180°, 1° oscillation) | |
| Cell parameters (Å) | P2(1)2(1)2(1), a = 38.39, b = 65.94, c = 92.31, α = β = γ = 90
|
P2(1)2(1)2, a = 108.99, b = 128.53, c = 71.44, α = β = γ = 90 | P4(3), a = 61.59, b = 61.59, c = 91.88, α = β = γ = 90 | C2, a = 100.06, b = 46.21, c = 74.18, α = 90, β = 121.06, γ = 90 | ||
| Resolution (Å) | 50-2.0
|
50-2.2 | 20-2.6 | 50-1.3 | ||
| Total no. of reflections | 15,139 | 28,037 | 97,377 | 31,078 | 204,381 | |
| Number of molecules in ASU (solvent fraction) | 2 (33%) | 8 (41.8%) | 2 (58.4%) | 2 (66%) | ||
| Completeness (%) | 96 (68.9) | 97.9 (85.5) | 99.7 (98.8) | 90.6 (90.5) | 87.9 (60.5) | |
| Redundancya | 11 (8.2) | 5.3 (3.2) | 3.4 (3.1) | 1.65 (1.66) | 3.3 (2.6) | |
| Rmergeb | 0.072 (0.282) | 0.076 (0.358) | 0.081 (0.588) | 0.079 (0.417) | 0.056 (0.227) | |
| I/σ(I) | 28.80 (0.73) | 29.32 (3.67) | 16.23 (2.83) | 13.59 (3.1) | 49.3 (13.3) | |
a
The numbers in parentheses refer to the last (highest) resolution shell.
b
Rmerge = ΣhΣiIhi − 〈Ih〉/Σh,i Ihi, where Ihi is the ith observation of the reflection h, while 〈Ih〉 is its mean intensity.