2OIN
crystal structure of HCV NS3-4A R155K mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-26 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 225.310, 225.310, 75.660 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.930 - 2.500 |
| R-factor | 0.203 |
| Rwork | 0.200 |
| R-free | 0.24600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | HCV NS3-4A wild type protease |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.900 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNX (2005) |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 5.370 | 2.500 |
| Rmerge | 0.090 | 0.041 | 0.462 |
| Number of reflections | 22116 | ||
| <I/σ(I)> | 12.1 | ||
| Completeness [%] | 86.8 | 93.7 | 35.5 |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 1.4M NaCl, 0.3M KH2PO4, 0.1M MES, pH 6.2, 10.0mM PME, protein concentration 8mg/ml, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
