Table 4.
Data collection and refinement statistics for the FIH D201E variant. Values in parentheses represent the highest resolution shell.
| Data set | (Zn2++αKG)D201E | (Fe2++αKG)D201E | (Zn2++αKG)D201E/CTAD |
|---|---|---|---|
| PDB ID | 5JWL | 5JWK | 5JWP |
| λ (Å) | 1.08 | 1.08 | 1.08 |
| Space group | P41212 | P41212 | P41212 |
| Unit cell (Å, °) | a = b = 86.17, c = 149.06 | a = b = 86.13, c = 149.21 | a = b = 86.22, c = 14.90 |
| α = β = γ = 90 | α = β = γ = 90 | α = β = γ = 90 | |
| Resolution (Å) | 50–2.4 (2.44 – 2.40) | 50 – 2.3 (2.34 – 2.30) | 34 – 2.1 (2.14 – 2.1) |
| Rsym (%) | 13.0 (100) | 12.4 (88) | 7.0 (100) |
| Redundancy | 9.0 (9.5) | 8.2 (7.9) | 5.2 (5.3) |
| Mean I/σ (I) | 27 (2.7) | 23.4 (2.4) | 24.8 (2.3) |
| Completeness | 98.2 (100) | 99.4(100) | 99.5 (99.8) |
| Refinement | |||
| Resolution range (Å) | 37 – 2.4 | 37 – 2.3 | 34 – 2.1 |
| Number of Reflections | 22314 | 25594 | 28327 |
| Average B factor (Å2) | 67 | 66 | 52 |
| Rwork/Rfree (%) | 18.0/22.6 | 18.6/22.7 | 17.0/21.0 |
| RMS deviations | |||
| Bond lengths (Å) | 0.016 | 0.016 | 0.019 |
| Bond angles (°) | 1.755 | 1.866 | 1.904 |
| Ramachandran plot, residues in (%) | |||
| Preferred region | 92.9 | 94.4 | 96.0 |
| Allowed region | 7.1 | 5.6 | 4.0 |
| Disallowed region | 0 | 0 | 0 |