3HKW
HCV NS5B genotype 1a in complex with 1,5 benzodiazepine inhibitor 6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0073 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.525, 271.306, 61.007 |
| Unit cell angles | 90.00, 98.82, 90.00 |
Refinement procedure
| Resolution | 136.080 - 1.550 |
| R-factor | 0.17 |
| Rwork | 0.170 |
| R-free | 0.18917 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cso |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.259 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 136.080 | 1.630 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.088 | 0.430 |
| Number of reflections | 247261 | |
| <I/σ(I)> | 3.3 | 1.7 |
| Completeness [%] | 91.2 | 92.5 |
| Redundancy | 2.3 | 2.2 |
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 |
