6WER
DENV2 NS1 in complex with neutralizing 2B7 Fab fragment
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-13 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0332 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 148.465, 148.465, 517.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.800 - 3.960 |
R-factor | 0.2773 |
Rwork | 0.276 |
R-free | 0.31130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4o6b |
RMSD bond length | 0.003 |
RMSD bond angle | 0.658 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.800 | 4.010 |
High resolution limit [Å] | 3.960 | 3.960 |
Rmerge | 0.215 | 4.703 |
Rmeas | 0.219 | 4.803 |
Rpim | 0.042 | 0.960 |
Number of reflections | 25742 | 2415 |
<I/σ(I)> | 13.77 | 0.92 |
Completeness [%] | 98.8 | 95.34 |
Redundancy | 26.6 | 24.5 |
CC(1/2) | 1.000 | 0.703 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 293 | 23% PEG 3350, 0.25 M MgCl2, 0.1 M sodium acetate pH 5.2 |