3AOA
Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-15 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 226.533, 134.438, 162.783 |
| Unit cell angles | 90.00, 97.73, 90.00 |
Refinement procedure
| Resolution | 49.300 - 3.350 |
| R-factor | 0.27419 |
| Rwork | 0.271 |
| R-free | 0.32582 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dhh |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.580 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.410 |
| High resolution limit [Å] | 3.350 | 9.080 | 3.350 |
| Rmerge | 0.063 | 0.026 | 0.373 |
| Number of reflections | 68812 | ||
| <I/σ(I)> | 14.6 | ||
| Completeness [%] | 99.4 | 89.7 | 100 |
| Redundancy | 7.6 | 6.9 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 298 | 20mM sodium phosphate, 100mM NaCl, 14 %(w/v) PEG 4000, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
