6MO2
Structure of dengue virus protease with an allosteric Inhibitor that blocks replication
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-25 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 109.155, 109.155, 76.003 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.310 - 2.800 |
| R-factor | 0.24558 |
| Rwork | 0.242 |
| R-free | 0.30997 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fom |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.503 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.211 | 1.943 |
| Number of reflections | 16509 | 1621 |
| <I/σ(I)> | 19.93 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 35% PEG 200, 100 mM MES, pH 8.5 |
