Table 1.
Data collection and phasing statistics for the head-binding domain
| Parameters | Native | TEMEa | UOACb | UOTEc |
|---|---|---|---|---|
| Total observations | 48,766 | 64,266 | 33,849 | 35,960 |
| Unique reflections | 20,822 | 28,937 | 18,290 | 18,811 |
| Resolution (Å) | 2.6 | 2.3 | 2.7 | 2.7 |
| Completeness (%)d | 96.5/72.2 | 95.4/82.9 | 94.7/84.0 | 97.4/86.5 |
| Rmerge (%)e | 7.6/29.8 | 5.6/17.4 | 8.2/32.1 | 9.8/28.4 |
| Riso (25–3.0 Å)f | — | 0.21 | 0.21 | 0.25 |
| Heavy atom sites | — | 6 | 9 | 7 |
| RCullisg | — | 0.62/0.69 | 0.93/0.92 | 0.65/0.71 |
| Phasing powerh | — | 2.16/1.41 | 2.0/1.29 | 0.61/0.45 |
Met(Te)-crystal.
15 mM of UO2-acetate, one day.
15 mM of UO2-acetate in Met(Te)-crystal, one day.
25–2.60/2.60–2.65 Å for Native; 25–2.3/2.30–2.35 Å for TEME; 25–2.8/2.8–2.9 Å for UOAC and UOTE.
Rmerge =∑h∑i|I(h, i)| − |〈I(h)〉|/∑h∑iI(h, i), where I(h, i) is the intensity value of the ith measurement of h and 〈I(h)〉 is the corresponding mean value of h for all I measurements of h: the summation is over all measurements.
Riso =∑|FPH2 − F|/∑(FPH2FP2), where FPH and FP are the derivative and the native structure factor amplitudes, respectively.
RCullis =∑hkl|FPH ± Fp| − FH(calc.)|/∑hkl|FPH ± FP|
FH/residual; rms mean heavy-atom contribution/ rms residual, defined as [(FPHC2 − FPH2 −)2/n]1/2 with the sum over all reflections, where FPHC is the calculated structure factor and FPH is the structure factor amplitude of the heavy-atom derivative, respectively.