4IZ0
Crystal structure of HCV NS5B polymerase in complex with 2,4,5-trichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-11-29 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 105.710, 107.850, 133.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.220 |
| Rwork | 0.253 |
| R-free | 0.27490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mwv |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.272 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.300 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rmerge | 0.067 | 0.477 |
| Number of reflections | 75980 | |
| <I/σ(I)> | 19.65 | 2.68 |
| Completeness [%] | 99.5 | 95.9 |
| Redundancy | 4.7 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 284 | 100 mM MES, 21% PEG5000 MME, 200 mM ammonium sulfate, 10% glycerol, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 284K |
