3HKY
HCV NS5B polymerase genotype 1b in complex with 1,5 benzodiazepine 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 | PIXEL |
| Collection date | 2008-01-30 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0073 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 106.274, 107.679, 133.573 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.900 - 1.900 |
| R-factor | 0.18423 |
| Rwork | 0.184 |
| R-free | 0.20861 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nb4 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.319 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.900 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.086 | 0.180 |
| Number of reflections | 120846 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.5 | 6.9 |
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 |
