3KF2
The HCV NS3/NS4A protease apo structure
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 | 2008-01-30 |
| Detector | ADSC QUANTUM 1 |
| Wavelength(s) | 0.9800 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 224.924, 224.924, 75.545 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 112.460 - 2.500 |
| R-factor | 0.207 |
| Rwork | 0.205 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a4g |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.565 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | PHASER (1.3.3) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 112.509 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.111 | 0.627 |
| Total number of observations | 124042 | 18310 |
| Number of reflections | 25152 | |
| <I/σ(I)> | 12.8 | 1.1 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 4.9 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 277 | 1.2M NaCl, 50mM MES, 50mM Na/K Phosphate, 10mM BME, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
