Table 1.
Basic data collection and processing statistics for YckF crystals
| Number of amino acid residues/methionines 185/9 | |||||
|---|---|---|---|---|---|
| Number of molecules in the asymmetric unit 2 | |||||
| Crystal lattice | |||||
| Native | P6522 a = b = 72.08, c = 245.56Å | α = β = 90° | γ = 120° | ||
| Se-Met | P6522 a = b = 72.48, c = 244.87Å | α = β = 90° | γ = 120° | ||
| Crystal 1 (Se-Met) |
Crystal 2 (native) |
||||
| Inflection point | Peak | Remote | Low resolution | High resolution | |
| Energy (keV) | 12.65835a | 12.65977a | 13.000 | 13.100 | 13.100 |
| Wavelength (Å) | 0.97947 | 0.97936 | 0.95373 | 0.94644 | 0.94644 |
| Resolution (Å) | 50–2.5 | 50–2.61 | 50–2.6 | 50–3.2 | 4–1.95 |
| No. of observations | 559 946 | 46 1026 | 501 104 | 64 730 | 262 698 |
| Uniqueb reflections | 24913 | 22082 | 22 153 | 6880 | 25 054 |
| Completeness (%)c | 99.9 (100) | 99.9 (100) | 99.9 (100) | 99.9 (100) | 99.9 (100) |
| I/σ(I)c | 50.8 (8.3) | 45.7 (7.7) | 48.1 (6.3) | 50.5 (22.1) | 31.6 (5.3) |
| Rsymc | 0.068 (0.513) | 0.074 (0.483) | 0.082 (0.654) | 0.039 (0.098) | 0.072 (0.468) |
| Rmerge between low- and high-resolution passes on native crystals | 0.035 | ||||
Energy deviation from usual values of Se absorption edge reflect calibration of the monochromator at the time of the experiment.
Bijvoet pairs for scaling the MAD data sets were kept separately.
In the last resolution shell.