Table I. Basic data collection and processing statistics for MoaB crystals.
The number of amino acid residues/methionines (including N-terminal Met) was 340/6. The number of molecules in the asymmetric unit was 2. The Rmerge between low- and high-resolution passes was 0.037. Crystal lattice P321 a = b = 69.11, c = 126.22 Å α = β = 90° γ = 120°.
| Inflection point | Peak | Low resolution | High resolution | |
|---|---|---|---|---|
| Energy (keV) | 12.65934 | 12.66075 | 12.000 | 12.000 |
| Wavelength (Å) | 0.97954 | 0.97929 | 1.03321 | 1.03321 |
| Resolution (Å) | 50–1.87 | 50–1.87 | 50–2.7 | 3.0–1.54 |
| No. of observations | 311,387 | 311,440 | 60,562 | 251,553 |
| Uniquea reflections | 55,534 | 55,494 | 8,840 | 45,003 |
| Completeness (%)b | 99.4 (99.0) | 99.2 (98.0) | 86.8 (90.2) | 99.5 (95.8) |
| I/σ(I)b | 26.5 (2.5) | 26.2 (2.3) | 28.9 (14.5) | 22.4 (2.6) |
| Rsymb | 0.057 (0.45) | 0.06 (0.52) | 0.056 (0.137) | 0.067 (0.41) |
a
Bijvoet pairs for scaling the multiwavelength anomalous dispersion data sets were kept separately.
b
Statistics in the last resolution shell are in parentheses.