Table 1 X-ray data and refinement statistics
| Â | HIV-1 WT RT/16 | K103N/Y181C mutant HIV-1 RT/21 |
|---|---|---|
Protein Data Bank (PDB) accession code | 4I2P | 4I2Q |
Space group | C2 | C2 |
Cell constants (a, b, c in Å; β in º) | 162.65, 72.99, 109.50; 100.59 | 162.60, 72.95, 108.54; 100.70 |
Resolution range (Å) | 50.00 – 2.30 | 50.00 – 2.70 |
Completeness (%) | 98.8 | 99.2 |
Rmerge | 0.085 | 0.084 |
Average I/σI | 15.0 | 16.5 |
Sigma cut-off (I) | |I| < −3.0σ | |I| < −3.0σ |
Refinement Statistics | ||
Total no. of atoms (solvent atoms) | 8,258 (309) | 8,094 (146) |
Resolution (Ã…) | 2.30 | 2.70 |
No. of reflections | 55,924 | 34,219 |
Rwork | 0.212 | 0.215 |
Rfree | 0.260 | 0.286 |
Ramachandran statistics (% of residues in favored/disallowed regions) | 99.48/0.52 | 99.90/0.10 |
RMSD bond length (Ã…) | 0.009 | 0.009 |
RMSD bond angles (º) | 1.120 | 1.258 |