Table 2.
Crystal parameters, data collection, and refinement statistics
| Parameters and refinement statistics | ePNPOqm (K72I/Y129F/R133L/H199A) | PLP-ePNPOqm (K72I/Y129F/R133L/H199A) |
|---|---|---|
| PDB code | 6YLZ | 6YMH |
| Space group | P31 2 1 | P61 |
| Cell constants a, b, c, α, ɓ, ɣ | 63.78 Å 63.78 Å 124.73 Å 90.00° 90.00° 120.00° |
54.16 Å 54.16 Å 271.97 Å 90.00° 90.00° 120.00° |
| Asymmetric unit (residues/chain) | Monomer (7/A - 218/A) | Dimer (17/A–126/A, 176/A–218/A; 14/B–166/B, 170/B–218/B) |
| Resolution range (Å) | 55.232–1.558 (1.585–1.558) | 46.907–2.417 (2.459–2.417) |
| Unique reflections | 41,877 (2040) | 17,206 (898) |
| Completeness (%) | 98.0 (98.0) | 100.0 (100.0) |
| Redundancy | 19.7 (11.9) | 20.1 (17.2) |
| Rmerge | 0.13 (2.72) | 0.21 (3.55) |
| CC(1/2) (%) | 99.9 (44.4) | 99.9 (39.2) |
| I/σ(I) | 13.6 (0.9) | 11.9 (0.9) |
| High-resolution limit having I/σ(I) higher than 2 (Å) | 1.7 | 2.6 |
| Resolution range (Å) for refinement | 55.232–1.558 (1.599–1.558) | 46.907–2.417 (2.480–2.417) |
| Rwork (%) | 17.06 (36.50) | 18.97 (37.20) |
| Rfree (%) | 20.22 (36.30) | 25.88 (42.60) |
| Rms (bond_angle) (°) | 1.721 | 1.784 |
| Rms (bond_length) (Å) | 0.013 | 0.014 |
| Wilson B-factor (Å2) | 23.6 | 58.5 |
| Residues in favored regions of Ramachandran plot (%) | 97.0 | 97.0 |
| Residue in allowed regions of Ramachandran plot (%) | 3.0 | 2.0 |
| Ramachandran outliers (%) | 0.0 | 1.0 |
| Ligands (Real Space Correlation Coefficient, RSCC) | - | PLP (0.89) |
Values for the high-resolution shell are listed in parentheses.