Table 2. Crystallographic data.
Space group | C2 | P3221 |
---|---|---|
Data Collection | ||
Wavelength (Å) | 1.0115 | 0.9763 |
Resolution range (Å) | 50–1.4 (1.5–1.4) | 50–1.75 (1.85–1.75) |
Unit cell parameters | ||
a, b, c (Å) | 125.9, 36.6, 36.5 | 75.5, 75.5, 95.2 |
α, β, γ(°) | 90.0, 95.9, 90.0 | 90.0, 90.0, 120.0 |
No. of reflections | 110938 (15382) | 155026 (23674) |
Unique reflections | 31792 (5381) | 31990 (4807) |
Completeness (%) | 96.9 (88.8) | 99.4 (99.1) |
Average I/σ | 22.29 (4.17) | 19.56 (2.64) |
Robs (%) | 3.9 (29.9) | 3.5 (66.7) |
Rmeas (%) | 4.4 (36.8) | 3.9 (74.7) |
Refinement and validation | ||
No. of reflections, Rcryst/Rfree | 31789/1589 | 31890/1595 |
Rwork/Rfree (%) | 19.6/21.4 | 21.1/23.2 |
No. of protein atoms | 1248 | 1248 |
No. of waters | 67 | 90 |
Average B factors (Å2) | ||
Wilson | 12.0 | 33.3 |
All atoms | 14.1 | 38.1 |
Protein | 13.7 | 37.6 |
Water | 20.4 | 45.3 |
Rms deviations | ||
Bond lengths (Å) | 0.006 | 0.006 |
Bond angles (°) | 1.081 | 0.978 |
Ramachandran plot | ||
Most favoured (%) | 89.6 | 88.0 |
Additional allowed (%) | 10.4 | 12.0 |
Generously allowed (%) | 0 | 0 |
Disallowed (%) | 0 | 0 |
PDB code | 4WFV | 4WFU |