4CL1
The crystal structure of NS5A domain 1 from genotype 1a reveals new clues to the mechanism of action for dimeric HCV inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-02-14 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 100.230, 101.760, 149.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.115 - 3.500 |
| R-factor | 0.227 |
| Rwork | 0.225 |
| R-free | 0.26640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gaf |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.610 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.120 | 3.590 |
| High resolution limit [Å] | 3.000 | 3.500 |
| Rmerge | 0.140 | 0.390 |
| Number of reflections | 17168 | |
| <I/σ(I)> | 3.5 | 1.9 |
| Completeness [%] | 86.0 | 87.5 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1 M MES PH 6.0 1.6 M MAGNESIUM SULFATE |
