1NHU
Hepatitis C virus RNA polymerase in complex with non-nucleoside analogue inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 105 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-09-17 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.015, 104.684, 126.843 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 * - 2.000 |
| R-factor | 0.2191 |
| Rwork | 0.219 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1c2p |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.500 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.078 * | 0.230 * |
| Total number of observations | 335233 * | |
| Number of reflections | 77907 | |
| <I/σ(I)> | 18.9 | 6.1 |
| Completeness [%] | 99.7 | 97.7 |
| Redundancy | 4.3 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 * | 295 | 18% (w/v) PEG 4000, 0.3 M NaCl, 0.1 M sodium acetate buffer (pH = 5.0), 5 mM 2-mercaptoethanol, VAPOR DIFFUSION, HANGING DROP, temperature 295K, pH 7.50 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | 2-mercaptoethanol | 5 (mM) | |
| 3 | 1 | reservoir | PEG4000 | 18 (%(w/v)) | |
| 4 | 1 | reservoir | 0.3 (M) | ||
| 5 | 1 | reservoir | sodium acetate | 0.1 (M) | pH5.0 |
| 6 | 1 | reservoir | 2-mercaptoethanol | 5 (mM) |
