5ENS
Rhodamine bound structure of bacterial efflux pump.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-05-08 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 108.652, 145.245, 174.148 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.800 |
R-factor | 0.19723 |
Rwork | 0.194 |
R-free | 0.25803 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5en5 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.493 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.970 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.285 | 1.273 |
Number of reflections | 68419 | |
<I/σ(I)> | 5.16 | |
Completeness [%] | 99.7 | 98.9 |
Redundancy | 6.7 | 6.6 |
CC(1/2) | 0.958 | 0.419 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 MES pH6.5, 0.21M NaCl, 11.5% PEG4000 |