4LQ3
Crystal structure of human norovirus RNA-dependent RNA-polymerase bound to the inhibitor PPNDS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-04-05 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.072 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 85.750, 116.100, 122.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.400 - 2.600 |
| R-factor | 0.22321 |
| Rwork | 0.220 |
| R-free | 0.28535 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.183 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.400 | 2.660 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 19046 | |
| Completeness [%] | 99.6 | 99.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 293 | 1.2M sodium citrate, 0.1M sodium cacodylate, 0.125M sodium chloride, pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
