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 |
