3W9H
Structural basis for the inhibition of bacterial multidrug exporters
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-02 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 226.279, 134.160, 162.202 |
| Unit cell angles | 90.00, 97.83, 90.00 |
Refinement procedure
| Resolution | 43.010 - 3.050 |
| R-factor | 0.2356 |
| Rwork | 0.231 |
| R-free | 0.31680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v50 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.679 |
| 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 | 3.100 |
| High resolution limit [Å] | 3.050 | 8.270 | 3.050 |
| Rmerge | 0.060 | 0.023 | 0.622 |
| Number of reflections | 89374 | ||
| <I/σ(I)> | 15.4 | ||
| Completeness [%] | 97.7 | 83.2 | 97.8 |
| Redundancy | 3.5 | 3.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 298 | 20mM sodium phosphate, 100mM NaCl, 14% PEG 4000, 32ug/ml ABI-PP, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
