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 |