5YVW
Crystal structure of 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 | 2015-10-24 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.770, 88.300, 81.110 |
| Unit cell angles | 90.00, 92.34, 90.00 |
Refinement procedure
| Resolution | 45.270 - 3.100 |
| R-factor | 0.2094 |
| Rwork | 0.207 |
| R-free | 0.25050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.112 |
| 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] | 81.040 | 3.310 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.158 | 0.705 |
| Rmeas | 0.197 | 0.874 |
| Rpim | 0.115 | 0.508 |
| Number of reflections | 14938 | 2461 |
| <I/σ(I)> | 9 | 3.3 |
| Completeness [%] | 99.5 | 99.9 |
| Redundancy | 4.7 | 4.8 |
| CC(1/2) | 0.990 | 0.831 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 0.1 M HEPES pH 7.0, 10% PEG 4000 |
