2W53
Structure of SmeT, the repressor of the Stenotrophomonas maltophilia multidrug efflux pump SmeDEF.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.703, 58.582, 83.260 |
| Unit cell angles | 90.00, 103.14, 90.00 |
Refinement procedure
| Resolution | 19.860 - 2.000 |
| R-factor | 0.196 |
| Rwork | 0.194 |
| R-free | 0.23600 |
| Structure solution method | SIRAS |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.453 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | HKL2Map |
| Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.220 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.050 | 0.190 |
| Number of reflections | 35083 | |
| <I/σ(I)> | 9.13 | 3.86 |
| Completeness [%] | 97.2 | 96.3 |
| Redundancy | 7.31 | 7.37 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 30% MME2000, 0.2M LI2SO4, 0.1M TRIS PH8.5 |
