Table 1.
Summary of crystallographic data.
| PvPNP | PfPNP hypoxanthine-ribose-AsO4 complex | |
| PDB code | 3EMV | 3ENZ |
| Space group | R32 | I4122 |
| Unit cell | a = b = 94.8 Å, | a = b = 177.8 Å, c = 253.9 Å |
| c = 121.3 Å | α = β = γ = 90.0° | |
| α = β = 90.0°, | ||
| γ = 120.0° | ||
| Resolution range (Å) | 33.98 – 1.85 (1.92 – 1.85) | 30.94 – 2.03 (2.10 – 2.03) |
| Unique reflections | 14,619 (875) | 129,248 (12,783) |
| Completeness (%) | 80.5 (49.0) | 99.4 (99.8) |
| Redundancy | 6.0 (4.4) | 10.7 (8.0) |
| I/σI | 17.6 (4.3) | 18.5 (2.7) |
| Rmerge | 0.095 (0.234) | 0.106 (0.556) |
| Solvent content | 33.5% | 58.9% |
| Refined model | ||
| No. Protein chains | 1 | 6 |
| No. Protein atoms | 1921 | 11268 |
| No. Other atoms (ligand, organic solvent and water) | 80 | 779 |
| No. TLS groups | 1 | 30 |
| Rfact | 0.193 | 0.160 |
| Rfree | 0.233 | 0.193 |
| FOM | 0.852 | 0.891 |
| Mean Bfac protein (Å2) | 25.7 | 16.1 |
| Mean Bfac other atoms (Å2) | 29.6 | 28.8 |
| rms bonds (Å) | 0.012 | 0.016 |
| rms angles (°) | 1.611 | 1.396 |
Table shows processing and refinement statistics for the diffraction data and models from both crystal forms. The numbers in parentheses refer to data from the highest resolution shell.