TABLE 1.
Crystallographic statistics for HCV RNA polymerase mutants
| Parameter | Value for HCV RNA polymerase mutanta |
|||
|---|---|---|---|---|
| Y448F | W550N | W550A | D559E | |
| Data collection statistics | ||||
| a (Å) | 105.59 | 105.49 | 106.22 | 106.00 |
| b (Å) | 108.35 | 107.95 | 108.42 | 107.65 |
| c (Å) | 134.25 | 133.25 | 133.95 | 133.75 |
| Resolution range (Å) | 29.96–2.59 (2.63–2.59) | 21.88–2.71 (2.76–2.71) | 49.90–2.52 (2.56–2.52) | 53.8–3.00 (3.05–3.00) |
| No. of reflections observed | 125,800 | 215,760 | 201,221 | 126,511 |
| No. of unique (possible) reflections | 43,737 (48,705) | 40,622 (42,052) | 49,043 (52,734) | 29,813 (31,382) |
| Rmerge (%)b | 6.7 (23.9) | 13.8 (46.0) | 19.0 (68.4) | 12.3 (32.0) |
| Completeness (%) | 89.8 (91.4) | 96.6 (94.0) | 93.0 (80.9) | 95.2 (84.3) |
| I/σI | 18.7 (3.65) | 12.2 (3.7) | 12.7 (3.5) | 9.3 (2.8) |
| Refinement statistics | ||||
| RMS deviations | ||||
| Bond lengths (Å) | 0.009 | 0.009 | 0.009 | 0.011 |
| Bond angles (°) | 1.346 | 1.270 | 1.267 | 1.447 |
| Rwork (%) | 17.7 | 16.6 | 18.6 | 17.3 |
| Rfree (%)c | 24.9 | 24.8 | 26.6 | 25.8 |
| Asymmetric unit content | ||||
| No. of amino acid residues | 1,130 | 1,132 | 1,136 | 1,136 |
| No. of solvent molecules | 406 | 424 | 465 | 487 |
| PDB accession no. | 4RY4 | 4RY5 | 4RY6 | 4RY7 |
a
All structures are isomorphous to the P212121 orthorhombic crystal form of WT NS5B (PDB accession number 1NB4). Values in parentheses refer to the highest-resolution shell.
b
Rmerge = 100 × ΣhΣi|Ih,i − 〈Ih〉|/ΣhΣiIh,i, where 〈Ih〉 is the mean intensity of symmetry-related reflections, Ih,i.
c
The size of test set was ≤7.0%.