Table 1.
Crystallography statistics for Fsq
| Data collection | |
| Space group | P2 21 21 |
| Unit cell parameters | |
| a (Å) | 80.27 |
| b (Å) | 186.04 |
| c (Å) | 195.39 |
| α, β, γ (°) | 90, 90, 90 |
| Wavelength (Å) | 1.5418 |
| Resolution range (Å)a | 29.6–2.69 (2.74–2.69) |
| Unique reflections | 82,043 |
| Completeness (%)a | 99.9 (99.9) |
| Multiplicitya | 7.4 (7.3) |
| Rmergea,b | 0.215 (1.444) |
| Rpima,c | 0.084 (0.565) |
| Mean 〈I/σ(I)〉a | 10.5 (1.7) |
| CC1/2a,d | 0.993 (0.551) |
| Solvent content (%, v/v) | 45.7 |
| Molecules per asymmetric unit | 20 |
| Refinement | |
| Reflections used | 81,939 |
| Resolution range (Å)a | 29.6–2.69 (2.72–2.69) |
| Rwork/Rfreea,e | 0.209/0.258 |
| No. of atoms (all) | 20515 |
| Water molecules | 362 |
| Average B-factor (Å2) | |
| Main chains | 44.7 |
| Side chains | 47.6 |
| Water molecules | 34.1 |
| FAD molecules | 46.4 |
| Root mean square deviations | |
| Bond length (Å) | 0.003 |
| Bond angles (°) | 0.682 |
| Ramachandran plot regions (%) | |
| Favored | 94.23 |
| Allowed | 4.62 |
| Outliers | 1.14 |
| PDB ID | 6ECI |
a Values in parentheses are for the highest-resolution shell.
bRmerge = (Σh Σi |Ih,i − 〈Ih〉|)/(Σh Σi 〈Ih〉), where 〈Ih〉 is the average intensity of i symmetry-related observations of the unique reflection h.
cRpim = (Σh Σi (1/(nh − 1))1/2 |Ih,i − 〈Ih〉|)/(Σh Σi 〈Ih〉).
dCC1/2 = linear correlation coefficient between intensities from random half-datasets.
eRwork = Σh |F(obs) − F(calc)|/Σh |F(obs)| and 5% of the data that were excluded from the refinement were used to calculate Rfree.