2HWI
HCV NS5B allosteric inhibitor complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-01-01 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.997, 106.585, 127.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.223 |
| Rwork | 0.223 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | : 1C2P |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.111 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.067 | 0.276 |
| Number of reflections | 74324 | |
| <I/σ(I)> | 16 | 3.64 |
| Completeness [%] | 94.5 | 93.6 |
| Redundancy | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 5 | 295 | 20%PEG4000, 5mM DTT, 0.5M MES, 1.0M NaCl, PH5, Micro batch, pH 5.0, EVAPORATION, temperature 295K |
