3GNW
HCV NS5B polymerase in complex with 1,5 benzodiazepine inhibitor 4c
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91990 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 106.534, 107.573, 133.657 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.590 - 2.390 |
| R-factor | 0.16916 |
| Rwork | 0.167 |
| R-free | 0.21708 |
| Starting model (for MR) | 3cso |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.400 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.590 | 2.460 |
| High resolution limit [Å] | 2.390 | 2.390 |
| Rmerge | 0.158 | 0.607 |
| Number of reflections | 61475 | |
| Completeness [%] | 98.5 | 98 |
| Redundancy | 6.3 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.75 | 293 | 5-8% PEG 6000, 100mM Mg-Salts, pH 6.75, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
