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 |