3FQL
Hepatitis C virus polymerase NS5B (CON1 1-570) with HCV-796 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-15 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.044, 60.896, 155.231 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.800 |
| R-factor | 0.1914 |
| Rwork | 0.190 |
| R-free | 0.22337 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2giq |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.157 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.110 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 50278 | |
| <I/σ(I)> | 27.5 | 1.91 |
| Completeness [%] | 93.7 | 66.7 |
| Redundancy | 6.4 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.9 | 293 | 50 mM NA CITRATE, 26% PEG 4000, 7.5% GLYCEROL, pH 4.9, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
