5YVV
Crystal structure of full length NS3 protein (gD4NS2BNS3) from DENV4 in closed conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-16 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.917, 88.715, 81.295 |
| Unit cell angles | 90.00, 93.08, 90.00 |
Refinement procedure
| Resolution | 45.414 - 3.097 |
| R-factor | 0.2352 |
| Rwork | 0.233 |
| R-free | 0.27930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vbc |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.651 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.410 | 3.310 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.078 | 0.406 |
| Rmeas | 0.106 | 0.554 |
| Rpim | 0.070 | 0.375 |
| Number of reflections | 13710 | 2433 |
| <I/σ(I)> | 13.1 | 2.7 |
| Completeness [%] | 99.4 | 98 |
| Redundancy | 3.7 | 3.6 |
| CC(1/2) | 0.996 | 0.824 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 0.1M MES pH 6.5, 12% PEG6000 |
