5FPS
Structure of hepatitis C virus (HCV) full-length NS3 complex with small-molecule ligand 3-aminobenzene-1,2-dicarboxylic acid (AT1246) in an alternate binding site.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2008-05-23 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 91.367, 110.504, 142.687 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 87.370 - 2.680 |
| R-factor | 0.166 |
| Rwork | 0.162 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cu1 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.240 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.400 | 2.700 |
| High resolution limit [Å] | 2.660 | 2.660 |
| Rmerge | 0.090 | 0.390 |
| Number of reflections | 41080 | |
| <I/σ(I)> | 5.7 | 2 |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.6 | 10.0%V/V MPD, 0.2M MES/NAOH, 15.0%W/V PEG 6000. PROTEIN CONC. = 6 MG/ML., pH 6.6 |
