5YVY
Crystal structure of unlinked full length NS3 protein (eD4NS2BNS3) from DENV4 in closed conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-07-18 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.900, 88.770, 81.450 |
| Unit cell angles | 90.00, 93.85, 90.00 |
Refinement procedure
| Resolution | 42.966 - 3.200 |
| R-factor | 0.2081 |
| Rwork | 0.205 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.606 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.200 | 3.460 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.123 | 0.793 |
| Rmeas | 0.169 | 1.084 |
| Rpim | 0.115 | 0.735 |
| Number of reflections | 10645 | 2412 |
| <I/σ(I)> | 6.9 | 1.4 |
| Completeness [%] | 84.8 | 93.8 |
| Redundancy | 3.4 | 3.5 |
| CC(1/2) | 0.984 | 0.526 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 0.1 M MES pH 6.4, 10% PEG 6000 |
