Table 1.
Data collection and resolution statistics for CFMO and PSFMO. Values for the highest resolution shells are given in parentheses.
| CFMO | PSFMO | |
|---|---|---|
| Beamline | Diamond i24 | Diamond i24 |
| Wavelength (Å) | 0.96862 | 0.96862 |
| Resolution (Å) | 22.44–2.39 (2.45–2.39) | 35.94–1.83 (1.88–1.83) |
| Space group | C2 | P3221 |
| Unit cell | a = 115.41; b = 95.09; c = 92.37 | a = b = 63.56; c = 189.82 |
| α = β = 90.0; γ = 126.3 | α = β = 90.0; γ = 120.0 | |
| No. of molecules in the asymmetric unit | 2 | 1 |
| Unique reflections | 31344 (2329) | 41893 (3176) |
| Completeness (%) | 98.1 (98.4) | 100 (99.9) |
| Rmerge (%) | 0.09 (0.50) | 0.112 (0.62) |
| Rp. i. m. | 0.09 (0.50) | 0.054 (0.30) |
| Multiplicity | 3.2 (2.9) | 9.8 (9.9) |
| 〈I/σ(I)〉 | 9.0 (2.1) | 14.9 (3.8) |
| CC1/2 | 0.99 (0.76) | 1.00 (0.90) |
| Overall B factor from Wilson plot (Å2) | 25 | 13 |
| Rcryst/Rfree (%) | 24.6/28.7 | 16.2/20.4 |
| r.m.s.d. 1–2 bonds (Å) | 0.014 | 0.02 |
| r.m.s.d. 1–3 bonds (°) | 1.66 | 2.26 |
| Avge main chain B (Å2) | 38 | 19 |
| Avge side chain B (Å2) | 40 | 22 |
| Avge water B (Å2) | 31 | 24 |