4KTC
NS3/NS4A protease with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-10-02 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 63 |
| Unit cell lengths | 72.988, 72.988, 127.480 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.460 - 2.300 |
| R-factor | 0.20896 |
| Rwork | 0.206 |
| R-free | 0.25838 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dy8 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.298 |
| Data reduction software | CrystalClear |
| Data scaling software | SCALA |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.460 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.157 | 0.397 |
| Number of reflections | 16946 | |
| <I/σ(I)> | 9.13 | 2.2 |
| Completeness [%] | 99.1 | 98.1 |
| Redundancy | 5.74 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | 18% PEG3350, 10% Glycerol, 1M MgCl2, 100mM Bis-Tris pH 6.2 and 10mM DTT at 20C. , VAPOR DIFFUSION, HANGING DROP, temperature 293K |
