3W9I
Structural basis for the inhibition of bacterial multidrug exporters
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 | 2011-11-23 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 |
| Unit cell lengths | 124.815, 133.981, 150.467 |
| Unit cell angles | 87.14, 69.49, 88.54 |
Refinement procedure
| Resolution | 48.330 - 2.710 |
| R-factor | 0.28346 |
| Rwork | 0.282 |
| R-free | 0.31529 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v50 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.529 |
| 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] | 100.000 | 100.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 7.330 | 2.700 |
| Rmerge | 0.047 | 0.024 | 0.552 |
| Number of reflections | 241501 | ||
| <I/σ(I)> | 14.6 | ||
| Completeness [%] | 97.5 | 77.4 | 96.9 |
| Redundancy | 3.8 | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 298 | 50mM Na Acetate-HCl pH5.0, 300mM NaCl, 25% PEG400, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
