Table 1. Statistics for X-ray diffraction data sets and phasing.
The space group of the CfaA crystals is C2. All diffraction data sets were collected at beamline 22-BM, Argonne National Laboratory. Values in parentheses are for the outermost shells.
| Data sets | Native | Pb | Pt |
|---|---|---|---|
| Wavelength (Å) | 0.98197 | 0.98197 | 0.89197 |
| Resolution (Å) | 50–2.03 (2.08–2.03) | 30–1.77 (1.81–1.77) | 50–2.80 (2.90–2.80) |
| Unit-cell parameters (Å, °) | a = 103.60, b = 28.68, c = 90.60, β = 119.70 | a = 102.12, b = 28.51, c = 90.04, β = 118.95 | a = 102.04, b = 28.64, c = 90.41, β = 119.01 |
| No. of observations | 51359 | 138094 | 105508 |
| No. of unique reflections | 14999 (732) | 22616 (1450) | 5596 (202) |
| Average mosaicity (°) | 0.22 | 0.20 | 0.20 |
| R merge † | 0.066 (0.433) | 0.053 (0.394) | 0.084 (0.205) |
| Completeness (%) | 97.4 (72.9) | 99.3 (97.9) | 95.1 (69.4) |
| Average I/σ(I) | 19.3 (2.7) | 19.6 (2.2) | 24.5 (4.6) |
| Multiplicity | 3.4 (2.9) | 3.3 (2.7) | 6.4 (3.4) |
†
R
merge is defined as 
, where Ii(hkl) is the intensity of the ith observation of a reflection with Miller indices hkl and 〈I(hkl)〉 is the mean intensity for all measured I(hkl) and Friedel pairs.