5ENQ
MBX3132 bound structure of bacterial efflux pump.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-06-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 107.726, 145.517, 173.452 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| R-factor | 0.18387 |
| Rwork | 0.182 |
| R-free | 0.22291 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5en5 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.808 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.106 | 1.949 |
| Number of reflections | 251472 | |
| <I/σ(I)> | 12.96 | |
| Completeness [%] | 99.8 | 99 |
| Redundancy | 9 | 8.7 |
| CC(1/2) | 0.999 | 0.484 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 MES pH6.5, 0.21 M NaCl, 11.5% PEG4000 |
