6WEQ
DENV1 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 | 2019-06-12 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 67.446, 329.709, 86.717 |
Unit cell angles | 90.00, 90.78, 90.00 |
Refinement procedure
Resolution | 48.170 - 3.200 |
R-factor | 0.2097 |
Rwork | 0.207 |
R-free | 0.26120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4o6b |
RMSD bond length | 0.011 |
RMSD bond angle | 1.245 |
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] | 48.170 | 3.314 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.300 | 1.661 |
Rmeas | 0.325 | 1.795 |
Rpim | 0.122 | 0.678 |
Number of reflections | 62008 | 6154 |
<I/σ(I)> | 5.91 | 0.87 |
Completeness [%] | 99.7 | 99.97 |
Redundancy | 7.1 | 6.9 |
CC(1/2) | 0.992 | 0.415 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 22% PEG 3350, 0.2 M trisodium citrate |