Table 1. Data-collection statistics for PgaB crystals.
Values in parentheses are for the highest resolution shell.
| Crystal | Native PgaB42–672, in situ proteolysis (Fig. 2 ▶ d) | SeMet PgaB42–655 (Fig. 2 ▶ e) |
|---|---|---|
| Wavelength (Å) | 1.08 | 0.98 |
| Temperature (K) | 100 | 100 |
| Space group | P212121 | P212121 |
| Unit-cell parameters (Å, °) | a = 91.0, b = 102.9, c = 151.9, α = β = γ = 90 | a = 91.1, b = 102.4, c = 150.9, α = β = γ = 90 |
| Resolution (Å) | 50.0–2.50 (2.59–2.50) | 50.0–2.10 (2.18–2.10) |
| No. of reflections | 713318 | 1108638 |
| No. of unique reflections | 50019 | 82493 |
| Multiplicity | 14.3 (14.3) | 13.5 (12.6) |
| Completeness (%) | 100.0 | 99.9 (99.3) |
| Average I/σ(I) | 10.0 (2.6) | 7.50 (2.8) |
| R merge † (%) | 10.8 (54.3) | 11.7 (59.7) |
R
merge =
, where I
i(hkl) and 〈I(hkl)〉 represent the diffraction-intensity values of the individual measurements and the corresponding mean values, respectively. The summation is over all unique measurements.