Table 1. Summary of the native and Se-SAD crystallographic data for the XccFimXEAL–c-di-GMP and SeMet-XccFimXEAL–c-di-GMP–XccPilZ1028 complexes.
Values in parentheses are for the outermost shell.
| XccFimXEAL–c-di-GMP | SeMet-XccFimXEAL–c-di-GMP–XccPilZ1028† | |
|---|---|---|
| Native | Peak | |
| Beamline | NSRRC BL13B1 | Spring-8 |
| Wavelength (Å) | 1.00000 | 0.97934 |
| Space group | P3221 | P6322 |
| Unit-cell parameters (Å, °) | a = b = 65.67, c = 121.29, γ = 120 | a = b = 158.22, c = 64.81, γ = 120 |
| Resolution range (Å) | 30–2.5 (2.59–2.50) | 30–2.7 (2.80–2.70) |
| Total reflections | 68379 (5890) | 189837 (16170) |
| Unique reflections | 19685 (1899) | 49419 (4899) |
| Multiplicity | 3.5 (3.1) | 3.8 (3.3) |
| Completeness (%) | 97.1 (93.5) | 99.4 (98.7) |
| Rmerge‡ (%) | 3.6 (22.1) | 13.8 (55.2) |
| 〈I/σ(I)〉 | 30.5 (5.4) | 7.8 (1.8) |
| Matthews coefficient (Å3 Da−1) | 2.74 | 2.93 |
| Solvent content (%) | 55.2 | 58.0 |
†
The FOM (figure of merit) for the SAD data for this complex was 0.37.
‡
R
merge = 
, where I
i(hkl) is the ith intensity measurement of reflection hkl, including symmetry-related reflections, and 〈I(hkl)〉 is its average.