5YW1
Crystal structure of full length NS3 protein (eD4NS2BNS3) in complex with Bovine Pancreatic Trypsin Inhibitor
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 | 2015-11-29 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.018, 87.493, 86.455 |
| Unit cell angles | 90.00, 98.25, 90.00 |
Refinement procedure
| Resolution | 44.998 - 2.600 |
| R-factor | 0.2215 |
| Rwork | 0.221 |
| R-free | 0.24020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vbc |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.684 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.730 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.082 | 0.803 |
| Rmeas | 0.112 | 1.088 |
| Rpim | 0.075 | 0.727 |
| Number of reflections | 24153 | 3202 |
| <I/σ(I)> | 10.2 | 1.5 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3.8 | 4 |
| CC(1/2) | 0.997 | 0.738 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 0.1M MES pH 6.0, 12% PEG4000 |
