5LQ3
Structures and transport dynamics of the Campylobacter jejuni multidrug efflux pump CmeB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-08-01 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 |
| Unit cell lengths | 120.868, 127.987, 169.606 |
| Unit cell angles | 99.79, 99.45, 84.95 |
Refinement procedure
| Resolution | 90.270 - 3.550 |
| R-factor | 0.2284 |
| Rwork | 0.226 |
| R-free | 0.26770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v50 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.522 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 100.000 | 100.000 | 3.680 |
| High resolution limit [Å] | 3.550 | 7.650 | 3.550 |
| Rmerge | 0.167 | 0.057 | |
| Rmeas | 0.171 | 0.067 | |
| Rpim | 0.114 | 0.035 | 0.769 |
| Total number of observations | 408878 | ||
| Number of reflections | 109703 | ||
| <I/σ(I)> | 6.2 | ||
| Completeness [%] | 91.3 | 91.7 | 94.1 |
| Redundancy | 3.7 | 3.7 | 3.7 |
| CC(1/2) | 0.996 | 0.490 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | 4% PEG8000 20mM NaMES 0.1M MgSO4 |
