6ET0
Crystal structure of PqsBC (C129A) mutant from Pseudomonas aeruginosa (crystal form 1)
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 | 2016-06-18 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.666, 141.356, 170.662 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.122 - 1.530 |
| R-factor | 0.1404 |
| Rwork | 0.140 |
| R-free | 0.15790 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6esz |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.902 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.26) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (dev_2875) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.122 | 47.120 | 1.560 |
| High resolution limit [Å] | 1.530 | 8.380 | 1.530 |
| Rmerge | 0.075 | 0.026 | 1.137 |
| Rmeas | 0.081 | 0.028 | 1.219 |
| Rpim | 0.029 | 0.010 | 0.436 |
| Total number of observations | 10715 | 83877 | |
| Number of reflections | 224695 | 1562 | 11031 |
| <I/σ(I)> | 14.1 | 46.7 | 2 |
| Completeness [%] | 100.0 | 99.3 | 99.8 |
| Redundancy | 7.4 | 6.9 | 7.6 |
| CC(1/2) | 0.999 | 0.999 | 0.741 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 293 | 0.1 M Bis-Tris (pH 6.7), 0.2 M Lithium sulfate, 14% PEG 3350, 5% MPD |
