Table 1. Data collection and refinement statistics.
Data collection and Processing | |
Wavelength (Å) | 1.458 |
Resolution range (Å) | 44.61–2.39 (2.48–2.39) |
Space group | P212121 |
Unit cell (Å) | a = 50.42, b = 76.37, c = 95.66 |
Total reflections | 78,940 (5,903) |
Unique reflections | 14,895 (1,294) |
Multiplicity | 5.3 (4.6) |
Completeness (%) | 98.2 (87.7) |
Mean I/sigma(I) | 7.03 (1.26) |
Wilson B-factor | 44.9 |
R-merge | 0.159 (1.292) |
R-meas | 0.176 |
CC1/2 | 0.99 (0.61) |
Refinement | |
Rwork | 0.2011 (0.3215) |
Rfree | 0.2475 (0.3477) |
Protein residues | 315 |
Ligands | 2 (PO4) |
Solvent molecules | 51 |
RMS(bonds) (Å) | 0.009 |
RMS(angles) (°) | 1.18 |
Ramachandran analysis (%) | |
Favoured | 95 |
Allowed | 5 |
Outliers | 0 |
Average B-factor (Å2) | 48.00 |