4WXR
X-ray crystal structure of NS3 Helicase from HCV with a bound inhibitor at 2.42 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-21 |
| Detector | SBC-3 |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 124.074, 112.776, 99.592 |
| Unit cell angles | 90.00, 126.52, 90.00 |
Refinement procedure
| Resolution | 29.700 - 2.420 |
| R-factor | 0.243 |
| Rwork | 0.239 |
| R-free | 0.31000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hei |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.474 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 29.700 |
| High resolution limit [Å] | 2.420 |
| Number of reflections | 38561 |
| <I/σ(I)> | 15.12 |
| Completeness [%] | 92.2 |
| Redundancy | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 289 | 2.0 M NA/K PHOSPHATE (PH 10.5), 186 MM LI2SO4, 100 MM CAPS PH 10.5, VAPOR DIFFUSION, TEMPERATURE 289K |
