2XCN
Crystal structure of HCV NS3 protease with a boronate inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-15 |
| Detector | ADSC CCD |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 231.370, 231.370, 75.667 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 70.710 - 3.020 |
| R-factor | 0.18674 |
| Rwork | 0.184 |
| R-free | 0.23879 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.481 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.710 | 3.180 |
| High resolution limit [Å] | 3.020 | 3.020 |
| Rmerge | 0.120 | 0.700 |
| Number of reflections | 15159 | |
| <I/σ(I)> | 12.7 | 3.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | pH 6.5 |
