7QH1
Discovery and development of a novel inhaled antivirulence therapy for the treatment of Pseudomonas aeruginosa infections in patients with chronic respiratory disease
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-07 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97949 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 120.980, 44.520, 161.710 |
Unit cell angles | 90.00, 100.61, 90.00 |
Refinement procedure
Resolution | 41.730 - 2.740 |
R-factor | 0.25825 |
Rwork | 0.256 |
R-free | 0.30117 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dbk |
RMSD bond length | 0.007 |
RMSD bond angle | 1.557 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.690 | 2.810 |
High resolution limit [Å] | 2.740 | 2.740 |
Number of reflections | 44296 | 3215 |
<I/σ(I)> | 3.9 | 1.1 |
Completeness [%] | 97.2 | |
Redundancy | 3.1 | |
CC(1/2) | 0.917 | 0.305 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M MOPS pH 6.5, 1.3-1.8 M ammonium sulfate |