4WXP
X-ray crystal structure of NS3 Helicase from HCV with a bound fragment inhibitor at 2.08 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-09-13 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 92.444, 92.444, 104.133 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.566 - 2.080 |
| R-factor | 0.1826 |
| Rwork | 0.180 |
| R-free | 0.23210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hei |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.127 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE: DEV_1779)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.150 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Rmerge | 0.080 | 0.669 |
| Number of reflections | 31271 | |
| <I/σ(I)> | 14.3 | |
| Completeness [%] | 99.5 | 98.3 |
| Redundancy | 5.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 100 MM TRIS (PH 8.5), 0.8 M SODIUM CITRATE, 200 MM NACL, 2.5% PEG 4000, 20% EG CRYOPROTECTANT, VAPOR DIFFUSION, TEMPERATURE 289K |
