3OYP
HCV NS3/4A in complex with ligand 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-04 |
| Detector | PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 61 |
| Unit cell lengths | 94.401, 94.401, 83.129 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 81.650 - 2.760 |
| R-factor | 0.21892 |
| Rwork | 0.215 |
| R-free | 0.27360 |
| Structure solution method | OTHER |
| Starting model (for MR) | 1dxp |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.181 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.650 | 2.900 |
| High resolution limit [Å] | 2.760 | 2.760 |
| Rmerge | 0.123 | 0.643 |
| Number of reflections | 10926 | |
| Completeness [%] | 98.9 | 92.6 |
| Redundancy | 6.7 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 293 | NaCl, pH 5.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
