4JY0
Crystal structure of hcv ns5b polymerase in complex with compound 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-07-15 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 105.820, 107.970, 133.420 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.200 |
| Rwork | 0.213 |
| R-free | 0.24820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mwv |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.218 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNX (2002) |
| Refinement software | CNX (2002) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.083 | 0.407 |
| Number of reflections | 68870 | |
| <I/σ(I)> | 10.86 | 2.09 |
| Completeness [%] | 88.1 | 74.3 |
| Redundancy | 2.4 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 284 | 100 mM MES, 21% PEGmme 5000, 400 mM Ammonium sulfate, 10% glycerol, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 284K |
