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 |